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

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