xplor-nih

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2015/03/20 [Xplor-nih] new user Sina Rastegar
2015/03/12 Re: [Xplor-nih] SAXS and Cross Validation Charles Schwieters
2015/03/12 [Xplor-nih] SAXS and Cross Validation CUNIASSE Philippe 126390
2015/02/13 Re: [Xplor-nih] Torsion DB Pot violations and deviation from ideal geometry Bermejo, Guillermo (NIH/CIT) [E]
2015/02/13 [Xplor-nih] Torsion DB Pot violations and deviation from ideal geometry Yuan Yang
2015/02/12 Re: [Xplor-nih] Fixing Da & Rh absolutely Charles Schwieters
2015/02/12 [Xplor-nih] Fixing Da & Rh absolutely Xu Wang
2015/02/09 Re: [Xplor-nih] Time step and force constant optimization Charles Schwieters
2015/02/09 [Xplor-nih] Time step and force constant optimization Yuan Yang
2015/02/04 Re: [Xplor-nih] Residual CSA as cross validation? Charles Schwieters
2015/01/30 Re: [Xplor-nih] refinement with pcs Charles Schwieters
2015/01/30 [Xplor-nih] refinement with pcs Taylor Cole
2015/01/29 [Xplor-nih] Residual CSA as cross validation? santhu kumar
2015/01/28 Re: [Xplor-nih] refinement with pcs Charles Schwieters
2015/01/28 [Xplor-nih] refinement with pcs Taylor Cole
2015/01/21 Re: [Xplor-nih] Ranking SA structure energies Charles Schwieters
2015/01/19 [Xplor-nih] Ranking SA structure energies 러셀
2015/01/19 Re: [Xplor-nih] Is Omega changed in IVM? Charles Schwieters
2015/01/19 [Xplor-nih] Is Omega changed in IVM? santhu kumar
2015/01/15 Re: [Xplor-nih] rna_refi Bermejo, Guillermo (NIH/CIT) [E]
2015/01/15 [Xplor-nih] rna_refi Blanton Tolbert
2015/01/07 Re: [Xplor-nih] per-residue energies? Charles Schwieters
2015/01/06 Re: [Xplor-nih] per-residue energies? Johansson Maria
2014/12/25 Re: [Xplor-nih] questions in PCSs refinement Charles Schwieters
2014/12/18 Re: [Xplor-nih] How can I generate an extended structure with phosphorylated THR? Charles Schwieters
2014/12/18 [Xplor-nih] How can I generate an extended structure with phosphorylated THR? Yanan He
2014/12/02 Re: [Xplor-nih] per-residue energies? Charles Schwieters
2014/12/01 [Xplor-nih] per-residue energies? Johansson Maria
2014/12/01 Re: [Xplor-nih] structure refinement with PCSs using python script Charles Schwieters
2014/11/13 Re: [Xplor-nih] RAMA-ERR Charles Schwieters
2014/11/13 Re: [Xplor-nih] RAMA-ERR Gabriel Cornilescu
2014/11/13 [Xplor-nih] RAMA-ERR Shan Hsieh
2014/11/05 Re: [Xplor-nih] refine.py and increased backbone RMSD Charles Schwieters
2014/11/03 Re: [Xplor-nih] refine.py and increased backbone RMSD Mandar V. Deshmukh
2014/11/03 Re: [Xplor-nih] refine.py and increased backbone RMSD Charles Schwieters
2014/11/02 [Xplor-nih] refine.py and increased backbone RMSD Mandar Deshmukh
2014/10/16 Re: [Xplor-nih] N/C terminus additions; cyclic beta amino acids Charles Schwieters
2014/10/16 Re: [Xplor-nih] N/C terminus additions; cyclic beta amino acids 러셀
2014/10/15 [Xplor-nih] R-factors and significance santhu kumar
2014/09/29 Re: [Xplor-nih] Xplor calculation with PCSs for two lanthanide positions Charles Schwieters
2014/09/29 [Xplor-nih] Xplor calculation with PCSs for two lanthanide positions Künze , Georg
2014/09/02 [Xplor-nih] N/C terminus additions; cyclic beta amino acids Charles Schwieters
2014/09/02 [Xplor-nih] N/C terminus additions; cyclic beta amino acids Charles Schwieters
2014/09/02 [Xplor-nih] Fix part of a protein Charles Schwieters
2014/09/02 [Xplor-nih] Q factor calculation Charles Schwieters
2014/09/01 [Xplor-nih] N/C terminus additions; cyclic beta amino acids 러셀
2014/08/29 [Xplor-nih] Fix part of a protein DAI, JIAN
2014/08/28 [Xplor-nih] Q factor calculation Liu Wei
2014/08/13 [Xplor-nih] two questions about PRE ensemble calculation Charles Schwieters
2014/08/13 [Xplor-nih] high energy in torsionDB Sandra Pineda Sanabria
2014/08/13 [Xplor-nih] high energy in torsionDB Charles Schwieters
2014/08/13 [Xplor-nih] two questions about PRE ensemble calculation Liu Wei
2014/08/13 [Xplor-nih] high energy in torsionDB Sandra Pineda Sanabria
2014/08/13 [Xplor-nih] high energy in torsionDB Charles Schwieters
2014/08/12 [Xplor-nih] high energy in torsionDB Gabriel Cornilescu
2014/08/12 [Xplor-nih] high energy in torsionDB Sandra Pineda Sanabria
2014/08/04 [Xplor-nih] Help with cyclohexylalanine Cha/CHEX Charles Schwieters
2014/08/03 [Xplor-nih] Help with cyclohexylalanine Cha/CHEX Martin Stoermer
2014/07/30 [Xplor-nih] Lysozyme 15N Chemical shift anisotropy santhu kumar
2014/07/23 [Xplor-nih] Water refinement for protein-ligand complexes Charles Schwieters
2014/07/22 [Xplor-nih] Water refinement for protein-ligand complexes Gabriel Cornilescu
2014/07/22 [Xplor-nih] Water refinement for protein-ligand complexes Charles Schwieters
2014/07/22 [Xplor-nih] Water refinement for protein-ligand complexes Xu Wang
2014/06/12 [Xplor-nih] parameter and topology file for iodoacetamido-PROXYL Charles Schwieters
2014/06/12 [Xplor-nih] parameter and topology file for iodoacetamido-PROXYL Taylor Cole
2014/06/12 [Xplor-nih] parameter and topology file for iodoacetamido-PROXYL Taylor Cole
2014/06/02 [Xplor-nih] PRE ensemble averaging Charles Schwieters
2014/06/02 [Xplor-nih] PRE ensemble averaging Lukas Lercher
2014/05/08 [Xplor-nih] how to generate a ensemble representation using Xplor Charles Schwieters
2014/05/08 [Xplor-nih] how to generate a ensemble representation using Xplor [email protected]
2014/05/06 [Xplor-nih] input tbl files_Amber to xplor Charles Schwieters
2014/05/06 [Xplor-nih] input tbl files_Amber to xplor Wenbo Zhang
2014/04/28 [Xplor-nih] RMSD to reference Charles Schwieters
2014/04/28 [Xplor-nih] RMSD to reference V.V.
2014/04/25 [Xplor-nih] RMSD to reference Charles Schwieters
2014/04/25 [Xplor-nih] RMSD to reference V.V.
2014/04/22 [Xplor-nih] Calculating particular pairwise energy terms Charles Schwieters
2014/04/22 [Xplor-nih] Calculating particular pairwise energy terms Nah Sivar
2014/04/16 [Xplor-nih] Calculating particular pairwise energy terms Charles Schwieters
2014/04/15 [Xplor-nih] Calculating particular pairwise energy terms Nah Sivar
2014/04/14 [Xplor-nih] Calculating particular pairwise energy terms Charles Schwieters
2014/04/14 [Xplor-nih] Calculating particular pairwise energy terms Nah Sivar
2014/04/10 [Xplor-nih] A question about rotamers Si Yan
2014/04/10 [Xplor-nih] A question about rotamers Charles Schwieters
2014/04/09 [Xplor-nih] A question about rotamers Si Yan
2014/04/09 [Xplor-nih] A question about rotamers Bermejo, Guillermo (NIH/CIT) [E]
2014/04/09 [Xplor-nih] A question about rotamers Si Yan
2014/03/19 [Xplor-nih] compiling xplor under osx mavericks Gary Thompson
2014/03/18 [Xplor-nih] compiling xplor under osx mavericks Charles Schwieters
2014/03/17 [Xplor-nih] compiling xplor under osx mavericks Gary Thompson
2014/03/17 [Xplor-nih] compiling xplor under osx mavericks Gary Thompson
2014/03/17 [Xplor-nih] compiling xplor under osx mavericks Charles Schwieters
2014/03/17 [Xplor-nih] compiling xplor under osx mavericks Gary Thompson
2014/03/07 [Xplor-nih] pdb2psf problem Charles Schwieters
2014/03/06 [Xplor-nih] pdb2psf problem [email protected]
2014/02/28 [Xplor-nih] problems compiling xplor Charles Schwieters
2014/02/28 [Xplor-nih] problems compiling xplor Charles Schwieters
2014/02/27 [Xplor-nih] problems compiling xplor Gary Thompson
2014/02/19 [Xplor-nih] OSX10.9 was: error message for output files Charles Schwieters
2014/02/07 [Xplor-nih] xplor-nih parallel issue Charles Schwieters
2014/02/07 [Xplor-nih] xplor-nih parallel issue Charles Schwieters
2013/12/03 [Xplor-nih] Error modelling in RDC's Charles Schwieters
2013/12/02 [Xplor-nih] Error modelling in RDC's santhu kumar
2013/12/02 [Xplor-nih] Error modelling in RDC's Charles Schwieters
2013/12/02 [Xplor-nih] Error modelling in RDC's santhu kumar
2013/11/27 [Xplor-nih] Error modelling in RDC's santhu kumar
2013/11/27 [Xplor-nih] equalling two rdc tensors Charles Schwieters
2013/11/27 [Xplor-nih] equalling two rdc tensors [email protected]
2013/11/14 [Xplor-nih] Residue wise R-factors Charles Schwieters
2013/11/14 [Xplor-nih] Residue wise R-factors Gabriel Cornilescu
2013/11/14 [Xplor-nih] Residue wise R-factors santhu kumar
2013/11/14 [Xplor-nih] Residue wise R-factors Charles Schwieters
2013/11/13 [Xplor-nih] Residue wise R-factors Gabriel Cornilescu
2013/11/13 [Xplor-nih] Residue wise R-factors santhu kumar
2013/10/31 [Xplor-nih] Changing line thickness of NOEs in VMD-xplor Charles Schwieters
2013/10/31 [Xplor-nih] Changing line thickness of NOEs in VMD-xplor Loren Andreas
2013/10/24 [Xplor-nih] Docking structures using RDCs Charles Schwieters
2013/10/24 [Xplor-nih] Docking structures using RDCs Constantine, Keith
2013/10/24 [Xplor-nih] Docking structures using RDCs Carl Diehl
2013/10/21 [Xplor-nih] changing van der Waals radius without modifying an atom type Constantine, Keith
2013/10/21 [Xplor-nih] changing van der Waals radius without modifying an atom type Charles Schwieters
2013/10/21 [Xplor-nih] changing van der Waals radius without modifying an atom type Constantine, Keith
2013/10/21 [Xplor-nih] changing van der Waals radius without modifying an atom type Constantine, Keith
2013/10/18 [Xplor-nih] changing van der Waals radius without modifying an atom type Charles Schwieters
2013/10/18 [Xplor-nih] changing van der Waals radius without modifying an atom type Constantine, Keith
2013/10/18 [Xplor-nih] changing van der Waals radius without modifying an atom type Charles Schwieters
2013/10/18 [Xplor-nih] changing van der Waals radius without modifying an atom type Constantine, Keith
2013/10/14 [Xplor-nih] Custom N-terminal modification THOMAS EDWARD SMITH
2013/10/01 [Xplor-nih] Ensemble simulation - custom potential santhu kumar
2013/09/30 [Xplor-nih] Ensemble simulation - custom potential Charles Schwieters
2013/09/30 [Xplor-nih] Ensemble simulation - custom potential santhu kumar
2013/09/19 [Xplor-nih] Error: InternalDynamics::step: large timestep detected. Halving Charles Schwieters
2013/09/19 [Xplor-nih] Error: InternalDynamics::step: large timestep detected. Halving Marie-Laurence Tremblay
2013/09/11 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/09/11 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/09/10 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/09/10 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/09/10 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/09/10 [Xplor-nih] rigid body restraints using side chain orientations Charles Schwieters
2013/09/09 [Xplor-nih] rigid body restraints using side chain orientations Michael Stevens
2013/09/09 [Xplor-nih] Ensemble refinement with fixing one of the ensemble member during the entire docking protocol Charles Schwieters
2013/09/08 [Xplor-nih] Ensemble refinement with fixing one of the ensemble member during the entire docking protocol Hiroki Ogasa
2013/09/05 [Xplor-nih] Ensemble simulations and threading question Charles Schwieters
2013/09/05 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/09/05 [Xplor-nih] Ensemble simulations and threading question Gary Thompson
2013/09/04 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/09/04 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/09/04 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/08/30 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/08/29 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/08/27 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/08/27 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/08/27 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/08/27 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/08/27 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/08/27 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/08/27 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/08/26 [Xplor-nih] Ensemble simulation and starting structure Charles Schwieters
2013/08/26 [Xplor-nih] Ensemble simulation and starting structure santhu kumar
2013/08/26 [Xplor-nih] visualizing highly ambiguous restraints in vmd-xplor Charles Schwieters
2013/08/18 [Xplor-nih] visualizing highly ambiguous restraints in vmd-xplor Charles Schwieters
2013/08/17 [Xplor-nih] visualizing highly ambiguous restraints in vmd-xplor Loren Andreas
2013/08/16 [Xplor-nih] visualizing highly ambiguous restraints in vmd-xplor Charles Schwieters
2013/08/15 [Xplor-nih] visualizing highly ambiguous restraints in vmd-xplor Loren Andreas
2013/08/11 [Xplor-nih] Invitation to connect on LinkedIn Prem Prakash Pathak
2013/06/27 [Xplor-nih] Back-calculate chemical shift anisotropy Charles Schwieters
2013/06/27 [Xplor-nih] Back-calculate chemical shift anisotropy DAI, JIAN
2013/06/26 [Xplor-nih] Back-calculate chemical shift anisotropy Charles Schwieters
2013/06/26 [Xplor-nih] Back-calculate chemical shift anisotropy DAI, JIAN
2013/06/25 [Xplor-nih] Back-calculate chemical shift anisotropy Charles Schwieters
2013/06/25 [Xplor-nih] Back-calculate chemical shift anisotropy DAI, JIAN
2013/06/20 [Xplor-nih] How to turn on the violation stats for xplorpot Charles Schwieters
2013/06/20 [Xplor-nih] How to turn on the violation stats for xplorpot DAI, JIAN
2013/06/11 [Xplor-nih] python potentials signatures and simulations Charles Schwieters
2013/06/11 [Xplor-nih] python potentials signatures and simulations Gary Thompson
2013/06/10 [Xplor-nih] cross compiling xplor to another python version Charles Schwieters
2013/06/10 [Xplor-nih] problems with swig files Charles Schwieters
2013/06/10 [Xplor-nih] cross compiling xplor to another python version Gary Thompson
2013/06/10 [Xplor-nih] problems with swig files Gary Thompson
2013/06/06 [Xplor-nih] Modeling a loop, without breaking bonds Charles Schwieters
2013/06/06 [Xplor-nih] Modeling a loop, without breaking bonds Katherine Edmonds
2013/06/06 [Xplor-nih] Modeling a loop, without breaking bonds Katherine Edmonds
2013/06/05 [Xplor-nih] Modeling a loop, without breaking bonds Charles Schwieters
2013/06/05 [Xplor-nih] Modeling a loop, without breaking bonds Katherine Edmonds
2013/06/04 [Xplor-nih] PRE homodimer complex Charles Schwieters
2013/06/04 [Xplor-nih] PRE homodimer complex Fernando Correa
2013/05/29 [Xplor-nih] Thioether linkage/lanthionine Charles Schwieters
2013/05/29 [Xplor-nih] Thioether linkage/lanthionine Earl, Christopher
2013/05/29 [Xplor-nih] Thioester linkage/lanthionine Earl, Christopher
2013/05/21 [Xplor-nih] Deviations from idealized geometry Charles Schwieters
2013/05/20 [Xplor-nih] Deviations from idealized geometry [email protected]
2013/05/13 [Xplor-nih] barrier: error reading from process 1 .. Error during ensemble refinement Charles Schwieters
2013/05/13 [Xplor-nih] barrier: error reading from process 1 .. Error during ensemble refinement santhu kumar
2013/05/13 [Xplor-nih] exporting DIHE from water refinement script Charles Schwieters
2013/05/13 [Xplor-nih] exporting DIHE from water refinement script Marie-Laurence Tremblay
2013/05/11 [Xplor-nih] Multiple RDC datasets Charles Schwieters
2013/05/11 [Xplor-nih] Multiple RDC datasets santhu kumar
2013/05/11 [Xplor-nih] Multiple RDC datasets Charles Schwieters
2013/05/10 [Xplor-nih] Multiple RDC datasets santhu kumar
2013/05/08 [Xplor-nih] running structure calcs with nonstandard amino acids: STRUcture-ERR Charles Schwieters