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Rosetta 3 - General

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Normal topic Help - Protein-Protein interface design
by Dinesh Kumar » Thu, 2021-01-28 00:47
1
603 by rmoretti
Tue, 2021-02-09 10:29
Normal topic Better minimization with Rosetta
by Elijah_Hix » Wed, 2021-07-28 13:53
1
604 by matteoferla
Mon, 2021-08-09 01:53
Normal topic partial charge of params file in ligand docking
by rohi » Fri, 2021-05-28 08:43
1
605 by rmoretti
Fri, 2021-05-28 08:54
Normal topic RosettaCM: help to generate similar models as those from Robetta Server
by haom » Wed, 2020-09-09 09:19
0
609 by haom
Wed, 2020-09-09 09:19
Normal topic Side-chain grafting in fixed scaffold
by Kazu » Wed, 2020-05-20 08:45
0
614 by Kazu
Wed, 2020-05-20 11:58
Normal topic Why does the sum of the per-residue total energy not match the whole score?
by matteoferla » Fri, 2021-07-09 08:36
2
615 by matteoferla
Mon, 2021-07-12 02:23
Normal topic Clustering problem
by Suuo » Tue, 2021-04-20 01:40
1
624 by rmoretti
Tue, 2021-04-20 13:06
Normal topic using full atom constraint in docking
by rohi » Thu, 2020-10-15 10:28
0
629 by rohi
Thu, 2020-10-15 10:28
Normal topic Error on rna_denovo_setup.py
by zahra_AZ » Mon, 2020-11-09 02:23
0
630 by zahra_AZ
Mon, 2020-11-09 02:23
Normal topic how to perform model quality assessment of rosetta generated models?
by Danielsebas » Tue, 2019-09-24 05:03
0
632 by Danielsebas
Tue, 2019-09-24 05:03
Normal topic MakeRotLib
by yinasun » Fri, 2019-07-26 02:17
0
633 by yinasun
Fri, 2019-07-26 02:17
Normal topic SARS-CoV-2: call for compound predictions against protease
by matteoferla » Sun, 2020-03-22 05:29
0
640 by matteoferla
Sun, 2020-03-22 05:29
Normal topic what factors determine the lowest (best) LigInterfaceEnergy score?
by jmaly » Wed, 2020-08-26 13:07
0
642 by jmaly
Wed, 2020-09-02 16:16
Normal topic pyrosetta.rosetta.core.pose.rna
by chenjief » Tue, 2021-11-23 07:03
3
642 by matteoferla
Mon, 2022-01-10 06:44
Normal topic contribution of interface residues in binding energy
by rohi » Wed, 2021-01-20 07:33
1
655 by rmoretti
Wed, 2021-01-20 07:39
Normal topic dealing with Large ligand in Ligand docking and enzyme design
by rohi » Mon, 2021-01-04 09:58
1
676 by rmoretti
Tue, 2021-02-09 10:48
Normal topic FastRelax Mover with symmetry, ligand and membrane
by Michele.Bonus » Wed, 2021-05-26 04:43
1
676 by matteoferla
Thu, 2021-06-03 08:24
Normal topic opencl support programs
by x_wuxi » Mon, 2021-04-12 18:17
1
676 by rmoretti
Tue, 2021-04-13 06:42
Normal topic Sequence Profile/Checkpoint file
by ojmel » Fri, 2021-04-02 17:29
1
684 by taylorjones
Mon, 2021-04-05 13:17
Normal topic There is a problem executing “rosetta_scripts.static.linuxgccrelease ”
by zjya » Tue, 2021-02-02 23:44
1
686 by rmoretti
Wed, 2021-02-03 14:45
Normal topic Speeding up FastDesign
by ebetica0 » Wed, 2021-04-28 13:08
1
686 by vmulligan
Wed, 2021-04-28 14:20
Normal topic Docking Metalloprotein-Protein
by fgomes » Fri, 2019-11-22 19:12
0
687 by fgomes
Fri, 2019-11-22 19:12
Normal topic How to define the surface (???.surf) for surface_docking?
by Anpu » Thu, 2018-09-27 07:34
0
696 by Anpu
Thu, 2018-09-27 23:36
Normal topic restrict PackRotamersMover
by pmit » Thu, 2018-05-03 01:48
0
696 by pmit
Thu, 2018-05-03 01:48
Normal topic Denovo density excess map input and segmentation
by ahmadkhalifa » Mon, 2018-04-30 07:28
0
704 by ahmadkhalifa
Fri, 2018-05-04 07:50
Normal topic I Need Help on Validation for a Ligand Docking Experiment.
by tbelec » Sat, 2021-03-20 13:27
1
705 by matteoferla
Mon, 2021-03-22 08:29
Normal topic Correct way to force a specific histidine tautomer
by matteoferla » Fri, 2020-04-10 02:40
0
706 by matteoferla
Fri, 2020-04-10 02:40
Normal topic Difference between interface_delta_X and dG_separated?
by Nicole Deng » Sat, 2020-06-06 06:31
0
712 by Nicole Deng
Sat, 2020-06-06 06:40
Normal topic How to use the <CavityVolume> filter in the released version of Rosetta
by BioPython » Sun, 2019-05-12 20:07
0
714 by BioPython
Sun, 2019-05-12 20:07
Normal topic Chain name being read as residue
by MarkusAurelius » Mon, 2021-03-22 11:19
2
716 by MarkusAurelius
Mon, 2021-03-29 09:06
Normal topic problem plotting results from docking_analyser with provided Rscript
by madammolecular » Mon, 2021-02-01 14:44
2
717 by amystevens
Thu, 2021-09-30 14:18
Normal topic Recommendations for CoupledMoves enzyme redesign
by dgm3 » Thu, 2021-03-04 10:53
1
721 by aloshbau
Tue, 2021-03-09 02:47
Normal topic How to set start coordinates for ligand when doing protein_ligand docking
by Huanhuan » Wed, 2021-08-18 21:09
3
721 by matteoferla
Fri, 2021-08-20 08:37
Normal topic Rosetta Double changing mmCIF chain ID
by Victor Tobiasson » Thu, 2021-05-13 07:57
2
729 by Victor Tobiasson
Thu, 2021-05-13 08:33
Normal topic crashed when loading RDC data
by yangshen12 » Fri, 2018-10-26 12:34
0
731 by yangshen12
Fri, 2018-10-26 12:34
Normal topic pmut and scoring
by ldlamini » Tue, 2021-09-14 00:46
3
736 by matteoferla
Mon, 2021-09-20 06:05
Normal topic Segfault with docking protocol
by almeida85 » Mon, 2021-02-08 06:39
2
739 by almeida85
Mon, 2021-02-08 09:50
Normal topic error when using script best_ifaceE.py
by windmill » Thu, 2020-06-18 21:30
1
750 by windmill
Thu, 2020-06-18 21:32
Normal topic env energy term
by bazzoli » Wed, 2018-10-10 01:59
0
753 by bazzoli
Wed, 2018-10-10 01:59
Normal topic Mutate multidomain protein
by frankfurter1 » Wed, 2018-05-09 04:40
0
754 by frankfurter1
Wed, 2018-05-09 04:40
Normal topic FARFAR and RNA_Tools: problem executing the command helix_preassemble_setup.py
by obdulia » Wed, 2018-04-18 00:45
0
756 by obdulia
Wed, 2018-04-18 00:45
Normal topic protein design for increasing its affinity towards ligand
by rohi » Fri, 2020-10-30 11:33
1
759 by rmoretti
Tue, 2021-02-09 12:25
Normal topic Errors in Interface_design_demo
by zhoubin » Fri, 2019-01-04 13:14
0
760 by zhoubin
Fri, 2019-01-04 13:14
Normal topic alignblast.pl truncated file
by rlwoltz » Mon, 2019-03-11 18:32
0
766 by rlwoltz
Mon, 2019-03-11 18:32
Normal topic keep ATP in the kinase-peptide structure while docking
by ziqi1234 » Fri, 2017-11-10 04:04
0
770 by ziqi1234
Fri, 2017-11-10 04:04
Normal topic RosettaDesign improvements
by ac.research » Mon, 2018-05-14 08:27
0
772 by ac.research
Mon, 2018-05-14 08:27
Normal topic What is the expected behaviour when minimizing a jump edge?
by bio_james » Wed, 2017-12-13 09:13
0
774 by bio_james
Wed, 2017-12-13 09:13
Normal topic [dev] examples for implementing setup_for_packing, prepare_rotamers_for_packing?
by ipetrik_ambry » Mon, 2017-10-30 17:03
0
776 by ipetrik_ambry
Mon, 2017-10-30 17:03
Normal topic clustering ligand binding mood by ligand RMSD
by rohi » Tue, 2021-01-26 21:11
1
787 by brownbp1
Tue, 2021-02-09 12:12
Normal topic Fragment Picker score type weights
by wellsm10 » Mon, 2020-12-14 13:05
1
788 by dgront
Thu, 2021-02-11 08:30
Normal topic Method to keep ATP in the certain position in the prepack step
by ziqi1234 » Tue, 2017-11-21 05:55
0
789 by ziqi1234
Tue, 2017-11-21 05:55
Normal topic Disulfidize mover
by karenjgonzalez » Wed, 2019-07-31 12:35
0
791 by karenjgonzalez
Wed, 2019-07-31 12:35
Normal topic Error using ddg_monomer application (Assertion `pose.residue(resnum).name1() == wt` failed)
by sgaray » Thu, 2021-06-24 14:47
2
795 by sgaray
Fri, 2021-06-25 11:26
Normal topic location of define_interface.py
by rohi » Mon, 2020-10-26 19:42
1
797 by rmoretti
Mon, 2020-10-26 19:52
Normal topic enzyme design implementation
by rohi » Wed, 2020-12-16 09:54
1
798 by rmoretti
Tue, 2021-02-09 11:30
Normal topic incomparable ddG values
by ela » Fri, 2018-08-31 02:53
0
799 by ela
Fri, 2018-08-31 02:53
Normal topic constraint are not imposed during protein-ligand docking
by rohi » Wed, 2020-12-02 11:28
1
802 by rmoretti
Tue, 2021-02-09 12:02
Normal topic computing Pnear for Rosetta ligand docking
by rohi » Mon, 2021-02-01 08:27
1
805 by rmoretti
Tue, 2021-02-09 09:37
Normal topic Ligand being read as part of protein structure
by MarkusAurelius » Thu, 2021-04-01 11:00
2
811 by MarkusAurelius
Fri, 2021-04-02 11:44
Normal topic Score function: unable to open input_files/1qys.pdb
by Cyrrusm » Tue, 2020-10-13 11:35
1
812 by rmoretti
Tue, 2020-10-13 11:40
Normal topic reading of AtomPair failed in relax with constraint
by hajar » Wed, 2020-06-10 10:02
0
812 by hajar
Wed, 2020-06-10 11:17
Normal topic Help with filtering (Rosetta scripts)
by wentlewi » Sat, 2020-10-24 10:12
1
813 by rmoretti
Tue, 2021-02-09 12:35
Normal topic loop modelling on complex structure
by Tianyang89 » Fri, 2020-09-18 07:24
1
816 by amelie.stein
Mon, 2020-09-28 10:41
Normal topic simple_cycpep_predict issue modifying terminal residue
by JEaston » Thu, 2020-06-25 13:15
1
826 by vmulligan
Mon, 2020-06-29 13:09
Normal topic use_truncated_termini not working in combination with params files
by georg » Thu, 2020-03-26 13:14
1
834 by matteoferla
Tue, 2020-04-14 03:36
Normal topic Are 100 structures the maximum generated when using homology_with_end_extension (broker protocol)?
by thaisarns » Fri, 2020-02-21 05:46
1
835 by sheehajh
Fri, 2020-02-21 12:41
Normal topic de novo protein prediction
by pci112 » Tue, 2021-03-23 10:13
2
841 by pci112
Thu, 2021-03-25 01:44
Normal topic Gaussian Constraint For Dihedrals
by jinli711 » Thu, 2020-07-23 10:47
1
844 by matteoferla
Fri, 2020-07-24 03:06
Normal topic error running "helix_preassemble_setup.py"
by zahra_AZ » Tue, 2020-11-03 01:54
1
845 by rmoretti
Tue, 2021-02-09 12:19
Normal topic Ligand docking: how to generate the crystal_complex.pdb with hydrogens added
by nhinguyen26 » Wed, 2020-06-17 15:03
1
847 by matteoferla
Sat, 2020-06-20 03:56
Normal topic What is the best protocol to predict the missing residues in X-ray crystallisation?
by lanselibai » Sun, 2019-12-29 04:44
1
849 by matteoferla
Wed, 2020-01-01 04:30
Normal topic Setting output values using a database (with relax app)
by pedro.guillem » Thu, 2020-05-14 04:33
1
852 by pedro.guillem
Wed, 2020-06-24 04:41
Normal topic Issues with angle Constraints during Docking
by LeonhardJS » Thu, 2021-01-28 04:40
2
855 by LeonhardJS
Fri, 2021-01-29 01:12
Normal topic Error in Hybridize of Rosetta Comparative Modeling.
by Ivan » Fri, 2019-11-01 07:46
1
869 by rmoretti
Mon, 2019-11-04 12:54
Normal topic solution of the length of peptide candidates is larger than substrate with FlexPepDock and Flexpepbind
by ziqi1234 » Thu, 2018-05-24 02:18
0
875 by ziqi1234
Thu, 2018-05-24 02:18
Normal topic Rosetta changing Atom Name in PDB ATOM record?
by chrisHKL » Tue, 2020-03-03 20:50
1
876 by smlewis
Wed, 2020-03-04 07:40
Normal topic Unable to create col_complex.pdb file
by sayan500 » Tue, 2019-07-30 22:08
1
877 by rmoretti
Mon, 2019-08-26 14:52
Normal topic lDDT: local Distance Difference Test implemented?
by ipetrik_ambry » Wed, 2017-12-06 13:11
0
883 by ipetrik_ambry
Wed, 2017-12-06 13:11
Normal topic Error in flex ddG tutorial
by wentlewi » Sat, 2020-05-16 08:06
0
890 by wentlewi
Sat, 2020-05-16 08:06
Normal topic Error in src/protocols/membrane/util.cc line: 1224
by renedominik » Tue, 2020-02-11 08:10
1
891 by renedominik
Wed, 2020-02-12 06:16
Normal topic ddG of multiple mutations on a monomer
by hltorresvera » Mon, 2021-02-01 16:54
0
893 by hltorresvera
Tue, 2021-02-09 10:44
Normal topic small molecule charge generated by molfile_to_params.py
by rohi » Wed, 2021-03-17 09:35
3
895 by rmoretti
Wed, 2021-03-17 13:52
Normal topic ERROR: Not complementary at positions
by szcshr123 » Fri, 2021-02-26 05:58
2
896 by szcshr123
Fri, 2021-02-26 14:41
Normal topic File specification of binary part of silent file (especially PDB section)
by m.ebert » Wed, 2019-05-29 01:52
1
899 by smlewis
Wed, 2019-05-29 13:21
Normal topic How to determine the value size in block of *.cst files?
by weifulei » Sun, 2019-05-05 19:56
1
902 by rmoretti
Tue, 2019-07-09 15:59
Normal topic patch file modification for ser_phosphorylated.txt
by hajar » Sun, 2020-06-21 00:49
1
902 by matteoferla
Tue, 2020-06-23 10:58
Normal topic Running RosettaScripts, but got an error "src/utility/options/OptionCollection.cc, line 1153, No values of the appropriate type"
by zhoubin » Sun, 2021-02-28 08:51
3
904 by zhoubin
Mon, 2021-03-01 22:11
Normal topic Is there other online server for generate fragment?
by ylwang » Wed, 2020-04-01 01:39
1
907 by rmoretti
Wed, 2020-04-01 10:10
Normal topic Denovo prediction from multiple fragment lengths
by ahmadkhalifa » Sun, 2019-03-24 03:55
1
924 by rmoretti
Sat, 2019-03-30 12:10
Normal topic problems with implementing NOE constraints
by connyyu » Thu, 2019-04-11 12:37
1
927 by connyyu
Thu, 2019-04-18 03:26
Normal topic Mutations are ignored (fixbb) when using -auto_setup_metals option
by hdelrisco » Wed, 2019-06-19 15:43
1
929 by smlewis
Fri, 2019-06-28 13:56
Normal topic Rotate chain
by Germanico » Sun, 2021-05-09 16:36
3
932 by danpf
Mon, 2021-05-10 10:04
Normal topic Running CstFileToTheozyme for Mono-Atomic Metal
by Jhreed » Fri, 2016-07-08 13:43
0
944 by Jhreed
Fri, 2016-07-08 13:44
Normal topic Ligand question - aromatic bonds not being enforced?
by Rick_Baker » Wed, 2019-09-11 09:08
1
946 by Rick_Baker
Wed, 2019-09-11 15:35
Normal topic MotifGraft error: "Residue connection id changed when creating a new residue at seqpos"
by dfcoelho » Mon, 2020-02-03 11:09
1
961 by dfcoelho
Tue, 2020-02-04 07:45
Normal topic running Rosetta with MPI
by rohi » Sat, 2020-09-05 16:06
1
962 by rmoretti
Tue, 2021-02-09 13:44
Normal topic How to get fragment library from robetta server for mre than 1000 residue sequence?
by Danielsebas » Wed, 2019-09-18 07:53
1
962 by rmoretti
Wed, 2019-09-18 10:49
Normal topic Rosetta Antibody cuts off light chain?
by ziheng@mit.edu » Thu, 2019-05-02 15:17
1
962 by jeliazkov
Fri, 2019-05-03 07:00
Normal topic mpi + mp_mutate_relax
by decrSTL » Thu, 2020-01-16 10:47
1
965 by jkleman
Thu, 2020-01-16 11:05
Normal topic RosettaRemodel gives no increased output when setting higher -num_trajectory
by JW_24 » Tue, 2020-09-22 11:49
2
970 by JW_24
Wed, 2020-09-23 01:27
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