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FlexPepDocking.mpi.linuxgccrelease bails out ERROR: total_residue() != 0 ERROR:: Exit from: src/core/pose/Pose.cc line: 1369 by knutjbj » Thu, 2011-02-03 03:24 |
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4,511 |
by knutjbj Mon, 2014-04-21 06:47 |
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Fluctuations in I_sc by eminegenetics » Thu, 2018-09-13 12:07 |
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3,242 |
by eminegenetics Fri, 2018-09-21 07:42 |
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Fold tree error by mansi » Tue, 2010-05-18 07:43 |
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3,930 |
by mansi Mon, 2014-04-21 06:47 |
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force field, energy function by masterofpuppets » Wed, 2015-01-21 11:06 |
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6,115 |
by masterofpuppets Tue, 2015-01-27 07:07 |
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force hydrogen rebuild on input by jtmacd » Mon, 2013-11-18 08:28 |
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3,051 |
by jtmacd Mon, 2014-04-21 06:48 |
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force point mutation with fixbb by Anonymous » Wed, 2012-06-13 09:15 |
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3,967 |
by smlewis Mon, 2014-04-21 06:47 |
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Fragment file viewers by MajorID » Fri, 2012-02-24 20:57 |
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2,784 |
by smlewis Mon, 2014-04-21 06:47 |
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Fragment files by exchhattu » Fri, 2009-09-18 01:04 |
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4,709 |
by rmoretti Tue, 2015-01-06 09:58 |
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Fragment picker by phanvy » Mon, 2014-12-08 04:25 |
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3,275 |
by phanvy Wed, 2014-12-10 00:17 |
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Fragment Picker score type weights by wellsm10 » Mon, 2020-12-14 13:05 |
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1,460 |
by dgront Thu, 2021-02-11 08:30 |
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fragment picking with 100% sequence identity by nawsad » Thu, 2013-12-05 07:12 |
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3,088 |
by rmoretti Mon, 2014-04-21 06:48 |
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fragment-based loop modeling to get a helix at the loop site by berk » Wed, 2013-05-29 06:00 |
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10,364 |
by rmoretti Mon, 2014-04-21 06:47 |
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Fragments for short peptides using Robetta by renedominik » Wed, 2018-05-16 14:21 |
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2,935 |
by renedominik Mon, 2018-06-04 00:04 |
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fragment_picker error secondarysimilarity.cc line:132 by leanawen » Mon, 2013-04-15 14:33 |
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2,160 |
by smlewis Mon, 2014-04-21 06:47 |
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fragment_picker problem by adva » Tue, 2012-12-18 01:15 |
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12,669 |
by sabine Mon, 2014-04-21 06:47 |
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Free FSC score for validating refinement by ahmadkhalifa » Thu, 2018-05-10 05:53 |
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2,466 |
by ahmadkhalifa Fri, 2018-06-29 07:54 |
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Fusing C-terminal or N-terminal segments onto proteins using Remodel by achambe » Tue, 2016-01-05 09:39 |
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2,491 |
by achambe Wed, 2016-01-13 10:46 |
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GALigandDock errors by Delfosse57 » Mon, 2023-08-07 13:16 |
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457 |
by Delfosse57 Mon, 2023-08-07 13:16 |
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Gaussian Constraint For Dihedrals by jinli711 » Thu, 2020-07-23 10:47 |
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1,402 |
by matteoferla Fri, 2020-07-24 03:06 |
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General Forum Suggestion by jadolfbr » Thu, 2011-09-29 08:11 |
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2,791 |
by jadolfbr Mon, 2014-04-21 06:47 |
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General Protein Folding Question by twopint23oz » Sun, 2012-04-01 22:57 |
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6,514 |
by smlewis Mon, 2014-04-21 06:47 |
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General protein-protein docking when no info. on structure is availble by jasnyderjr » Fri, 2016-12-09 04:55 |
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3,235 |
by smlewis Tue, 2016-12-20 10:40 |
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general question about protein docking by albumns » Mon, 2010-12-13 23:26 |
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2,477 |
by JeffreyGray Mon, 2014-04-21 06:47 |
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GeneralizedKIC disulfide closure by Ken » Tue, 2022-08-16 13:32 |
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1,035 |
by Ken Wed, 2022-08-17 08:04 |
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GeneralizedKIC side chain closure. by almeida85 » Mon, 2022-09-19 06:13 |
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583 |
by almeida85 Mon, 2022-09-19 07:22 |
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generate full atom coordinates with abinitio rosetta structure prediction by anusmita_sahoo » Tue, 2010-03-30 00:11 |
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3,199 |
by Trentage Mon, 2014-04-21 06:47 |
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Generate full symmetric assembly from subsystem by lj269 » Thu, 2011-04-28 20:04 |
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2,419 |
by IAndre Mon, 2014-04-21 06:47 |
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Generate structural fragments by kingljy » Tue, 2011-05-10 20:18 |
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5,153 |
by pepfolder Mon, 2014-04-21 06:47 |
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Generate template parameter file for a polymer by anarob » Fri, 2022-06-10 11:05 |
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745 |
by matteoferla Fri, 2022-06-17 10:38 |
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generating 10 lowest energy structures from abinitio by isengupta13 » Fri, 2010-05-07 11:44 |
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2,610 |
by ndousis Mon, 2014-04-21 06:47 |
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Generating Fragment Libraries for Metal Binding Proteins by buzb » Wed, 2011-01-26 12:43 |
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2,854 |
by kaue Mon, 2014-04-21 06:47 |
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Generating Params File for water molecule by Ahmed Raslan » Thu, 2023-08-17 13:13 |
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523 |
by Ahmed Raslan Thu, 2023-08-17 13:13 |
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Generating Protein/NA decoys by rbeier1 » Mon, 2016-01-11 03:25 |
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2,522 |
by rmoretti Thu, 2016-04-28 16:25 |
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genkic mover produced an unwanted HN - CA bond by cttm4a1 » Mon, 2022-06-20 14:25 |
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981 |
by cttm4a1 Mon, 2022-06-20 16:58 |
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Get fasta from PDB script correction - Solved by ialvy » Tue, 2022-08-30 00:00 |
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538 |
by ialvy Tue, 2022-08-30 00:00 |
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Get nchi for heavy atoms by pachecoj » Tue, 2014-11-04 19:04 |
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2,145 |
by rmoretti Tue, 2014-11-11 13:22 |
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Getting an interface score from RosettaDock without docking by rosend » Fri, 2015-12-18 14:02 |
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6,465 |
by rosend Fri, 2015-12-18 19:39 |
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Getting started with Rosetta by myang » Tue, 2009-04-07 16:25 |
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2,612 |
by smlewis Mon, 2014-04-21 06:47 |
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get_distances command in rosetta 3.5 by pramod » Mon, 2014-01-20 11:31 |
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3,572 |
by rmoretti Mon, 2014-04-21 06:48 |
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Give diferent chain information for a single sequence (comparative modeling) by Martin Floor » Tue, 2013-04-02 08:59 |
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4,738 |
by Martin Floor Mon, 2014-04-21 06:47 |
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Give preference to native residue during fixed backbone designing by tusharranjanmoharana » Mon, 2016-04-04 12:43 |
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5,736 |
by rmoretti Thu, 2016-04-28 15:19 |
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Global Docking with output analysis RMS by kwu030 » Fri, 2024-02-23 09:17 |
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215 |
by rmoretti Mon, 2024-02-26 08:24 |
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Global ligand docking with Rosetta script and PyRosetta by tisozaki » Tue, 2021-12-14 17:16 |
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746 |
by tisozaki Tue, 2021-12-14 17:16 |
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Good baseline settings for side chain packing by pachecoj » Tue, 2015-01-13 19:25 |
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4,279 |
by rmoretti Wed, 2015-01-21 10:05 |
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Grafting using antibody.mpi.linuxgccrelease , the modelled structure does not have constant region of the antibody. by SubhaK » Thu, 2023-01-26 21:29 |
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597 |
by rmoretti Mon, 2023-02-06 14:35 |
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H3 modelling scoring function by aneamtu » Wed, 2017-12-27 23:10 |
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2,284 |
by aneamtu Mon, 2018-01-08 23:49 |
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Hamiltonian Exchange by JSK » Mon, 2024-03-18 12:44 |
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124 |
by JSK Tue, 2024-03-19 09:21 |
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Handling peptide with noncanonical aminoacids by tigerous » Sat, 2013-12-28 17:16 |
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3,553 |
by rmoretti Mon, 2014-04-21 06:48 |
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harmonic_Calphas in RosettaLigand flags.txt by cpkuntz » Wed, 2010-07-14 08:57 |
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2,597 |
by smlewis Mon, 2014-04-21 06:47 |
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have trouble with "relax" models by wszjzhang » Thu, 2010-01-28 10:02 |
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2,143 |
by smlewis Mon, 2014-04-21 06:47 |
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Having trouble producing a .pdb file from a silent output file after running abinitio relax by burkheadlab » Wed, 2011-03-09 12:48 |
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3,066 |
by burkheadlab Mon, 2014-04-21 06:47 |
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hbnet by mintseris » Mon, 2018-03-19 09:02 |
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1,669 |
by rmoretti Mon, 2018-03-19 09:08 |
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HBNetStapleInterface by sdh_h » Wed, 2016-08-24 03:30 |
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1,767 |
by smlewis Wed, 2016-08-24 07:23 |
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Hbond tripped by alejandro » Mon, 2011-11-21 04:17 |
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3,810 |
by alejandro Mon, 2014-04-21 06:47 |
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header pathways not accessable: No such file or directory by rlwoltz » Tue, 2012-09-18 17:44 |
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2,362 |
by smlewis Mon, 2014-04-21 06:47 |
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Helical symmetry for cryo-EM refinement by fmerino » Mon, 2017-10-16 04:02 |
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1,407 |
by fmerino Mon, 2017-10-16 04:02 |
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Helix at loop site by berk » Fri, 2013-05-31 07:04 |
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2,281 |
by smlewis Mon, 2014-04-21 06:48 |
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Help - Protein-Protein interface design by Dinesh Kumar » Thu, 2021-01-28 00:47 |
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1,109 |
by rmoretti Tue, 2021-02-09 10:29 |
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Help deciphering an input by Elijah_Hix » Wed, 2021-09-22 11:12 |
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1,345 |
by Elijah_Hix Thu, 2021-09-23 10:13 |
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Help with file in article Kemp elimination catalysts by computational enzyme design by Wenithor » Sat, 2021-10-09 07:23 |
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680 |
by Wenithor Sat, 2021-10-09 07:23 |
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Help with filtering (Rosetta scripts) by wentlewi » Sat, 2020-10-24 10:12 |
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1,393 |
by rmoretti Tue, 2021-02-09 12:35 |
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Help with get_pdb.py for PDB file cleaning by lzx32 » Mon, 2011-03-28 02:11 |
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9,050 |
by smlewis Mon, 2014-04-21 06:47 |
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help with perturbation docking please by einew » Fri, 2011-03-25 16:16 |
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3,147 |
by einew Mon, 2014-04-21 06:47 |
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high resolution protein docking doesn't work by albumns » Thu, 2010-12-02 02:36 |
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14,148 |
by albumns Mon, 2014-04-21 06:47 |
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Histidine phosphorylation by a patch by felipet » Sat, 2016-07-09 06:51 |
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3,077 |
by felipet Sat, 2016-07-09 09:50 |
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Histidine protonation by DmitriiN » Mon, 2016-09-26 13:15 |
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18,525 |
by rmoretti Mon, 2018-01-15 15:37 |
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homo-oligomeric proteins.............folddock+symmetry+abinito by anusmita_sahoo » Thu, 2010-04-29 02:59 |
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3,679 |
by biofisikx Mon, 2014-04-21 06:47 |
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Homology Model gives output - but completely wrong! by Julix » Wed, 2012-10-31 10:10 |
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3,340 |
by rmoretti Mon, 2014-04-21 06:47 |
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Homology modeling by mchldln » Mon, 2009-08-17 13:04 |
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3,720 |
by smlewis Mon, 2014-04-21 06:47 |
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Homology modeling starter script by gobli033 » Thu, 2010-04-01 07:27 |
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1,533 |
by gobli033 Mon, 2014-04-21 06:47 |
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how build (N-terminal 17 residues) structre /fragment file generation by venkatazb » Wed, 2016-07-27 23:56 |
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3,421 |
by smlewis Fri, 2016-07-29 07:43 |
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How can I use InterfaceScore terms in docking as GenericMonteCarlo criterion by wwwmrzkwww » Sun, 2021-08-15 00:19 |
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817 |
by wwwmrzkwww Sun, 2021-08-15 00:19 |
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How can move peptide on cleft of enzyme on Flexpepdock? by phanvy » Thu, 2014-06-05 02:22 |
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4,593 |
by zaldini Fri, 2015-01-02 05:38 |
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How did you begin to learn Rosetta? by mdeklotz » Mon, 2018-07-30 10:08 |
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2,216 |
by jkleman Tue, 2018-07-31 13:19 |
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How do I add hydrogen atoms to my PDB file? by monos_morpheus » Wed, 2011-03-30 03:30 |
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13,776 |
by rmoretti Mon, 2014-04-21 06:47 |
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How do I add virtual atom to my cofactor (metal ion) in rosettadock? by monos_morpheus » Sat, 2011-02-05 21:24 |
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3,387 |
by monos_morpheus Mon, 2014-04-21 06:47 |
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How do the homology sequences exclude from fragment files? by exchhattu » Mon, 2010-04-05 03:04 |
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2,095 |
by smlewis Mon, 2014-04-21 06:47 |
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How do you implement phosphoserine in ab -initio folding? by smiruthi » Fri, 2011-12-16 14:45 |
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10,006 |
by brspurri Mon, 2014-04-21 06:47 |
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How does one prevent Rosetta from connecting two separate chains? by jhbrown » Thu, 2011-12-15 14:08 |
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6,962 |
by Anonymous Mon, 2014-04-21 06:47 |
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how does rosetta handle hydrogens? by patcD » Tue, 2021-08-31 00:48 |
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1,455 |
by patcD Wed, 2021-09-01 06:54 |
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How many rifdock can I run at a time on a 64 CPUs and 512GB memory server? by JasonIsaac » Tue, 2023-05-02 03:39 |
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364 |
by JasonIsaac Tue, 2023-05-02 03:39 |
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How NMR structures can be inputted to Rosetta? by exchhattu » Mon, 2015-02-09 17:44 |
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2,143 |
by rmoretti Wed, 2015-02-18 09:19 |
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How RosettaCM can perform part of C terminal domain (CTD) structure prediction without proper template structures (coordinates) by haom » Tue, 2020-09-01 13:21 |
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913 |
by haom Tue, 2020-09-01 18:50 |
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how same random seeds can be used in rosetta for mpi run. by exchhattu » Wed, 2009-10-28 22:09 |
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2,806 |
by smlewis Mon, 2014-04-21 06:47 |
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How the Rosetta score (dG) is actually related to dH (enthalpy) and dS (entropy)? by lanselibai » Thu, 2014-12-04 13:16 |
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6,378 |
by lanselibai Fri, 2014-12-12 10:27 |
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How to set the cyana format of distance restraint in rosetta? by zhisheng » Mon, 2011-04-25 02:21 |
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3,112 |
by smlewis Mon, 2014-04-21 06:47 |
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how to add constrains in flexible peptide docking by kingbo2008 » Fri, 2011-04-29 07:55 |
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2,383 |
by smlewis Mon, 2014-04-21 06:47 |
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How to add new Movers to Rosetta by mb0261 » Thu, 2022-06-30 10:48 |
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498 |
by mb0261 Thu, 2022-06-30 10:48 |
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How to add uncommon metal elements into Rosetta and make it recognizable? by JasonIsaac » Thu, 2023-02-09 00:08 |
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1,098 |
by JasonIsaac Sat, 2023-02-11 00:44 |
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How to allow rosetta to recognize the ASP and protonated ASP? by Jeffrey_Chen » Mon, 2014-03-24 20:34 |
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4,085 |
by Jeffrey_Chen Tue, 2014-03-25 23:06 |
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How to automatically position new peptides into the binding site of a enzime, in order to run peptide-protein docking approaches by zaldini » Fri, 2015-01-02 05:53 |
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4,626 |
by zaldini Wed, 2015-01-07 20:35 |
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how to build homology based models? by albumns » Thu, 2010-06-24 10:27 |
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1,507 |
by albumns Mon, 2014-04-21 06:47 |
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How to calculate the binding energy of peptide and a protein? by tianbu » Thu, 2014-02-13 20:44 |
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11,225 |
by tianbu Mon, 2014-02-17 03:36 |
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how to cluster loop? by albumns » Wed, 2011-01-05 19:48 |
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6,491 |
by smlewis Mon, 2014-04-21 06:47 |
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How to convert fragments to PDB format? by JadAbbass » Wed, 2015-08-19 04:05 |
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2,223 |
by rmoretti Wed, 2015-09-02 12:48 |
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How to create a native file for Protein-Protein docking by Kotimedidhi » Mon, 2020-06-22 08:10 |
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850 |
by Kotimedidhi Mon, 2020-06-22 08:10 |
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How to create a rotamer set that includes all possible rotamers of all possible amino acids by AyushGoyal » Thu, 2014-11-06 10:37 |
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2,466 |
by smlewis Fri, 2014-11-07 12:03 |
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How to deal with Cu-as a ligand or as part of the receptor? by hanypao » Fri, 2011-09-30 18:50 |
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10,420 |
by rmoretti Mon, 2014-04-21 06:47 |
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How to define a theozyme from the .pdb crystal structure without ligand? by weifulei » Mon, 2019-05-20 21:18 |
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1,887 |
by rmoretti Tue, 2019-07-09 12:31 |
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How to define specific residues in alascan ? by Park » Mon, 2011-06-13 19:56 |
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7,137 |
by smlewis Mon, 2014-04-21 06:47 |
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