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Rosetta 3 - General

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Normal topic Question about FlexPepDock score
by aelatico » Thu, 2018-07-19 20:39
1
1,148 by rmoretti
Wed, 2018-08-01 16:04
Normal topic error in mol2 to params conversion for GAliganddocking
by jalan » Wed, 2020-04-22 06:08
2
1,146 by jalan
Thu, 2020-04-23 05:19
Normal topic Multi-state design with the error "unable to locate database file"
by yifeili1983 » Sun, 2019-03-31 18:30
1
1,144 by rmoretti
Wed, 2019-04-03 09:31
Normal topic The question about FavorNativeResidue
by asbelx » Fri, 2019-04-12 20:02
1
1,139 by rmoretti
Tue, 2019-07-09 15:57
Normal topic Add a ligand with only one atom (i.e. Zn) to the RosettaCM
by lanselibai » Tue, 2021-06-22 10:28
6
1,139 by rmoretti
Thu, 2021-06-24 12:23
Normal topic cluster results
by albumns » Sun, 2010-07-18 23:59
0
1,135 by albumns
Mon, 2014-04-21 06:47
Normal topic multi state protein design
by rohi » Fri, 2020-09-04 08:14
2
1,126 by rmoretti
Tue, 2021-02-09 13:45
Normal topic SNUGDOCK
by adva » Sun, 2017-07-16 00:49
1
1,124 by jeliazkov
Tue, 2017-07-18 09:51
Normal topic ab initio struction prediction
by Negarsardar » Mon, 2018-08-06 15:50
1
1,122 by smlewis
Tue, 2018-08-07 16:59
Normal topic make_fragments.pl
by rlwoltz » Fri, 2019-02-01 10:31
0
1,121 by rlwoltz
Fri, 2019-02-01 10:31
Normal topic Rosetta script to relax a neighborhood only
by matteoferla » Mon, 2018-10-29 03:34
1
1,121 by jadolfbr
Fri, 2018-11-09 09:17
Normal topic Icouldnot find DDMI protocol for design protein
by ladimafakher » Mon, 2018-02-12 09:22
1
1,120 by rmoretti
Mon, 2018-02-12 09:39
Normal topic 4mer 6mer fragment database
by bjharris » Wed, 2020-09-09 15:12
2
1,111 by bjharris
Wed, 2020-09-09 20:04
Normal topic De novo backbone trace from fragments
by Victor Tobiasson » Tue, 2020-12-22 06:34
2
1,111 by Victor Tobiasson
Tue, 2020-12-22 09:18
Normal topic Can I use next generation KIC with fragments?
by Loki01 » Thu, 2017-12-07 06:19
1
1,109 by Loki01
Wed, 2017-12-13 05:27
Normal topic hbnet
by mintseris » Mon, 2018-03-19 09:02
1
1,108 by rmoretti
Mon, 2018-03-19 09:08
Normal topic Consistent XYZvector length() zero failure in EnzDes
by mwfranklin » Thu, 2018-11-01 12:44
1
1,101 by rmoretti
Wed, 2018-11-21 14:14
Normal topic adding NCAA to the N-terminal of RCSB pdb
by ate » Tue, 2021-06-08 08:24
4
1,101 by Subhrodeep Saha
Sat, 2021-06-19 07:17
Normal topic I made a RDKit Chem.Mol to params converter — feedback welcome!
by matteoferla » Sun, 2020-05-03 10:14
1
1,099 by jadolfbr
Sun, 2020-05-03 19:38
Normal topic Ab Initio large threshold for clustering
by Swillard » Mon, 2018-11-12 14:14
1
1,098 by rmoretti
Wed, 2018-11-21 14:01
Normal topic Working through tutorials: expected output scorces differ from calculated results
by j.schmue » Sat, 2020-01-18 13:16
2
1,096 by j.schmue
Tue, 2020-01-28 13:31
Normal topic str::out_of_range with mpiexec and relax
by pedro.guillem » Fri, 2020-06-19 10:39
1
1,093 by pedro.guillem
Wed, 2020-06-24 04:49
Normal topic error in ligand docking
by rohi » Fri, 2020-11-13 10:52
1
1,078 by rmoretti
Fri, 2020-11-13 12:58
Normal topic RosettaCM: adding constraints while keeping AUTO constraints
by Michele.Bonus » Sun, 2020-08-30 10:42
2
1,078 by Michele.Bonus
Sun, 2020-08-30 23:06
Normal topic Problem with the top 25 fragments used in the library of 200 nine-residue fragments in AbinitioRelax
by MA » Wed, 2017-07-26 01:12
1
1,075 by rmoretti
Mon, 2017-08-21 09:55
Normal topic How to extract antibody from a set of pdb file may may contain antigen?
by Sunyp_IM » Mon, 2017-11-13 17:11
1
1,060 by ac.research
Sat, 2017-11-18 06:54
Normal topic IS there any source code about protein structure prediction with only sequences information?
by ylwang » Mon, 2019-07-08 02:36
1
1,059 by rmoretti
Mon, 2019-07-08 08:05
Normal topic Fixing certain residues during refinement
by ckdenist » Thu, 2019-08-29 14:00
1
1,051 by jadolfbr
Thu, 2019-08-29 14:29
Normal topic How to determine the value size in block of *.cst files?
by weifulei » Sun, 2019-05-05 19:56
1
1,051 by rmoretti
Tue, 2019-07-09 15:48
Normal topic Docking a ligand to two movable domains of a protein
by brspurri » Wed, 2018-05-16 08:27
1
1,049 by rmoretti
Thu, 2018-06-28 14:22
Normal topic Helical symmetry for cryo-EM refinement
by fmerino » Mon, 2017-10-16 04:02
0
1,042 by fmerino
Mon, 2017-10-16 04:02
Normal topic Error in Loop Modeling
by sayan500 » Tue, 2019-07-30 22:20
0
1,042 by sayan500
Tue, 2019-07-30 22:20
Normal topic Constraints use in RosettaCM
by a.book » Wed, 2018-10-03 12:11
0
1,031 by a.book
Wed, 2018-10-03 15:56
Normal topic Questions regarding fragmentation using Robetta
by ahmadkhalifa » Thu, 2018-06-28 13:24
1
1,028 by smlewis
Thu, 2018-06-28 13:34
Normal topic Params file for Methane
by dasdevashishdas » Sun, 2018-10-07 21:34
1
1,026 by rmoretti
Mon, 2018-10-08 11:20
Closed topic MakeRotLib
by yinasun » Fri, 2019-07-26 02:20
1
1,022 by rmoretti
Mon, 2019-08-26 15:01
Normal topic where is PyIgClassfiy.py ?
by mxp » Tue, 2020-07-07 23:57
2
1,021 by mxp
Wed, 2020-07-08 23:25
Normal topic Relax output mmCIF file to a particular path
by AJVincelli » Sun, 2018-11-25 11:04
1
1,018 by AJVincelli
Sun, 2018-11-25 11:09
Normal topic How to specify a specific rotamer
by Lior_UCSF » Wed, 2018-02-21 20:35
1
1,018 by rmoretti
Thu, 2018-02-22 09:29
Normal topic Ddg calculation for a metalloprotein using APBS
by dfcoelho » Tue, 2019-11-19 10:06
2
1,017 by dfcoelho
Wed, 2019-11-20 05:39
Normal topic Controlling Input in the Tutorial
by Smbat » Wed, 2020-07-29 22:41
2
1,010 by Smbat
Thu, 2020-07-30 03:07
Normal topic Error in molfile_to_params_polymer.py for NCAA
by kkuo33 » Mon, 2020-05-18 16:41
1
1,009 by matteoferla
Sat, 2020-05-23 03:09
Normal topic intrensic disrodered proteins
by ac.research » Thu, 2019-04-04 07:20
1
1,008 by vmulligan
Mon, 2019-04-08 14:49
Normal topic Molfile to Params File Issue
by jferrie » Mon, 2018-04-23 15:25
0
1,004 by jferrie
Mon, 2018-04-23 15:25
Normal topic clean_pdb.py
by duz » Wed, 2021-03-24 13:36
2
1,001 by duz
Thu, 2021-04-01 09:34
Normal topic MPI optimization on TACC stampede2 HPC
by rlwoltz » Tue, 2021-03-16 18:07
2
1,000 by rlwoltz
Wed, 2021-03-24 22:36
Normal topic Program frozen at "protocols.jobdist.JobDistributors: (0) Master Node -- Waiting for job request; tag_ = 1"
by Xinhang » Sat, 2020-04-11 14:30
1
1,000 by vmulligan
Sat, 2020-04-11 17:40
Normal topic LHOC script problem in Rosetta Antibody
by ziheng@mit.edu » Thu, 2019-04-25 14:19
1
998 by ziheng@mit.edu
Thu, 2019-04-25 14:31
Normal topic AbinitioRelax of RCSB PDB structures
by ac.research » Tue, 2019-09-03 02:35
1
998 by danpf
Tue, 2019-09-03 10:39
Normal topic Structure-sequence alignment generation with selected PDB how?
by nzsuzsanna » Tue, 2016-05-10 07:39
0
996 by nzsuzsanna
Tue, 2016-05-10 07:39
Normal topic MakeRotLib
by yinasun » Sun, 2019-07-28 20:08
1
995 by rmoretti
Mon, 2019-08-26 15:00
Normal topic analyzing the protein protein docking without native structure
by rohi » Sun, 2020-10-11 20:42
2
995 by rohi
Tue, 2020-10-13 09:15
Normal topic Rosetta params for taxol
by ahmadkhalifa » Sat, 2019-03-30 22:37
1
982 by rmoretti
Wed, 2019-04-03 10:03
Normal topic Extracting PDBs from a Silent file: "Can't find residue type for ARG"
by avsrivatsa » Sat, 2020-10-17 16:20
2
982 by avsrivatsa
Mon, 2020-10-19 18:16
Normal topic Error using FilterScan with rosettascripts
by SenyorDrew » Tue, 2016-12-13 14:29
0
975 by SenyorDrew
Tue, 2016-12-13 14:29
Normal topic RosettaRemodel gives no increased output when setting higher -num_trajectory
by JW_24 » Tue, 2020-09-22 11:49
2
971 by JW_24
Wed, 2020-09-23 01:27
Normal topic mpi + mp_mutate_relax
by decrSTL » Thu, 2020-01-16 10:47
1
969 by jkleman
Thu, 2020-01-16 11:05
Normal topic MotifGraft error: "Residue connection id changed when creating a new residue at seqpos"
by dfcoelho » Mon, 2020-02-03 11:09
1
965 by dfcoelho
Tue, 2020-02-04 07:45
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
965 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
964 by jeliazkov
Fri, 2019-05-03 07:00
Normal topic running Rosetta with MPI
by rohi » Sat, 2020-09-05 16:06
1
964 by rmoretti
Tue, 2021-02-09 13:44
Normal topic Ligand question - aromatic bonds not being enforced?
by Rick_Baker » Wed, 2019-09-11 09:08
1
951 by Rick_Baker
Wed, 2019-09-11 15:35
Normal topic Running CstFileToTheozyme for Mono-Atomic Metal
by Jhreed » Fri, 2016-07-08 13:43
0
948 by Jhreed
Fri, 2016-07-08 13:44
Normal topic Rotate chain
by Germanico » Sun, 2021-05-09 16:36
3
939 by danpf
Mon, 2021-05-10 10:04
Normal topic problems with implementing NOE constraints
by connyyu » Thu, 2019-04-11 12:37
1
931 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
930 by smlewis
Fri, 2019-06-28 13:56
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 ERROR: Not complementary at positions
by szcshr123 » Fri, 2021-02-26 05:58
2
911 by szcshr123
Fri, 2021-02-26 14:41
Normal topic Is there other online server for generate fragment?
by ylwang » Wed, 2020-04-01 01:39
1
911 by rmoretti
Wed, 2020-04-01 10:10
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
910 by zhoubin
Mon, 2021-03-01 22:11
Normal topic small molecule charge generated by molfile_to_params.py
by rohi » Wed, 2021-03-17 09:35
3
906 by rmoretti
Wed, 2021-03-17 13:52
Normal topic How to determine the value size in block of *.cst files?
by weifulei » Sun, 2019-05-05 19:56
1
906 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
904 by matteoferla
Tue, 2020-06-23 10:58
Normal topic File specification of binary part of silent file (especially PDB section)
by m.ebert » Wed, 2019-05-29 01:52
1
901 by smlewis
Wed, 2019-05-29 13:21
Normal topic ddG of multiple mutations on a monomer
by hltorresvera » Mon, 2021-02-01 16:54
0
898 by hltorresvera
Tue, 2021-02-09 10:44
Normal topic Error in src/protocols/membrane/util.cc line: 1224
by renedominik » Tue, 2020-02-11 08:10
1
895 by renedominik
Wed, 2020-02-12 06:16
Normal topic Error in flex ddG tutorial
by wentlewi » Sat, 2020-05-16 08:06
0
892 by wentlewi
Sat, 2020-05-16 08:06
Normal topic lDDT: local Distance Difference Test implemented?
by ipetrik_ambry » Wed, 2017-12-06 13:11
0
892 by ipetrik_ambry
Wed, 2017-12-06 13:11
Normal topic Unable to create col_complex.pdb file
by sayan500 » Tue, 2019-07-30 22:08
1
881 by rmoretti
Mon, 2019-08-26 14:52
Normal topic Rosetta changing Atom Name in PDB ATOM record?
by chrisHKL » Tue, 2020-03-03 20:50
1
881 by smlewis
Wed, 2020-03-04 07:40
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
879 by ziqi1234
Thu, 2018-05-24 02:18
Normal topic Error in Hybridize of Rosetta Comparative Modeling.
by Ivan » Fri, 2019-11-01 07:46
1
870 by rmoretti
Mon, 2019-11-04 12:54
Normal topic Issues with angle Constraints during Docking
by LeonhardJS » Thu, 2021-01-28 04:40
2
861 by LeonhardJS
Fri, 2021-01-29 01:12
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
854 by matteoferla
Wed, 2020-01-01 04:30
Normal topic error running "helix_preassemble_setup.py"
by zahra_AZ » Tue, 2020-11-03 01:54
1
854 by rmoretti
Tue, 2021-02-09 12:19
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 Ligand docking: how to generate the crystal_complex.pdb with hydrogens added
by nhinguyen26 » Wed, 2020-06-17 15:03
1
849 by matteoferla
Sat, 2020-06-20 03:56
Normal topic Gaussian Constraint For Dihedrals
by jinli711 » Thu, 2020-07-23 10:47
1
847 by matteoferla
Fri, 2020-07-24 03:06
Normal topic de novo protein prediction
by pci112 » Tue, 2021-03-23 10:13
2
845 by pci112
Thu, 2021-03-25 01:44
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
837 by sheehajh
Fri, 2020-02-21 12:41
Normal topic use_truncated_termini not working in combination with params files
by georg » Thu, 2020-03-26 13:14
1
837 by matteoferla
Tue, 2020-04-14 03:36
Normal topic simple_cycpep_predict issue modifying terminal residue
by JEaston » Thu, 2020-06-25 13:15
1
827 by vmulligan
Mon, 2020-06-29 13:09
Normal topic Ligand being read as part of protein structure
by MarkusAurelius » Thu, 2021-04-01 11:00
2
819 by MarkusAurelius
Fri, 2021-04-02 11:44
Normal topic loop modelling on complex structure
by Tianyang89 » Fri, 2020-09-18 07:24
1
818 by amelie.stein
Mon, 2020-09-28 10:41
Normal topic Help with filtering (Rosetta scripts)
by wentlewi » Sat, 2020-10-24 10:12
1
817 by rmoretti
Tue, 2021-02-09 12:35
Normal topic Score function: unable to open input_files/1qys.pdb
by Cyrrusm » Tue, 2020-10-13 11:35
1
817 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
814 by hajar
Wed, 2020-06-10 11:17
Normal topic computing Pnear for Rosetta ligand docking
by rohi » Mon, 2021-02-01 08:27
1
810 by rmoretti
Tue, 2021-02-09 09:37
Normal topic constraint are not imposed during protein-ligand docking
by rohi » Wed, 2020-12-02 11:28
1
805 by rmoretti
Tue, 2021-02-09 12:02
Normal topic incomparable ddG values
by ela » Fri, 2018-08-31 02:53
0
801 by ela
Fri, 2018-08-31 02:53
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