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• • [Xplor-nih] refine_gentle in XplorPy? [email protected]
• [Xplor-nih] xplor-nih status [email protected]
• [Xplor-nih] mailing list downtime [email protected]
• [Xplor-nih] generate carbohydrate Irina Nesmelova
  • [Xplor-nih] generate carbohydrate [email protected]
• [Xplor-nih] pdbTool and CYSP Jeff Ellena
  • [Xplor-nih] pdbTool and CYSP [email protected]
  • [Xplor-nih] calculating dihedral angles of conformations and clustering Nah Sivar
  • [Xplor-nih] calculating dihedral angles of conformations and clustering [email protected]
• [Xplor-nih] Register by Friday: North Eastern Structure Symposium - Computational Approaches to Structural Biology Gregory Choi
• [Xplor-nih] patch-err when using seq2psf with HYP residue added [email protected]
  • [Xplor-nih] patch-err when using seq2psf with HYP residue added [email protected]
• [Xplor-nih] visualize plane Jeff Ellena
  • [Xplor-nih] visualize plane [email protected]
• [Xplor-nih] PASD [email protected]
  • [Xplor-nih] pasd David A. Horita
  • [Xplor-nih] pasd [email protected]
  • [Xplor-nih] pasd Jeff Ellena
  • [Xplor-nih] pasd John Kuszewski
  • [Xplor-nih] pasd Jeff Ellena
  • [Xplor-nih] pasd John Kuszewski
  • [Xplor-nih] pasd Jeff Ellena
• [Xplor-nih] NOE restraints in a multimer (Thomas Pochapsky) John Vakonakis
• [Xplor-nih] NOE restraints in a multimer Thomas Pochapsky
  • [Xplor-nih] NOE restraints in a multimer John Kuszewski
  • [Xplor-nih] NOE restraints in a multimer Thomas Pochapsky
• [Xplor-nih] COLLapse term for homodimer Ramelot, Theresa A. Dr.
  • [Xplor-nih] COLLapse term for homodimer Ramelot, Theresa A. Dr.
  • [Xplor-nih] COLLapse term for homodimer [email protected]
  • [Xplor-nih] COLLapse term for homodimer John Kuszewski
• [Xplor-nih] Error on no atom spec when reading the NOE file Yang, Thao
  • [Xplor-nih] Error on no atom spec when reading the NOE file [email protected]
• [Xplor-nih] how to restart an IVM torsional angle dynamics Yi Xue
  • [Xplor-nih] how to restart an IVM torsional angle dynamics [email protected]
  • [Xplor-nih] how to restart an IVM torsional angle dynamics Yi Xue
  • [Xplor-nih] how to restart an IVM torsional angle dynamics [email protected]
• [Xplor-nih] point-plane restraints Jeff Ellena
  • [Xplor-nih] point-plane restraints [email protected]
• [Xplor-nih] psf and pdb files Jeff Ellena
  • [Xplor-nih] psf and pdb files [email protected]
• [Xplor-nih] Xplor-nih Digest, Vol 66, Issue 5 [email protected]
• [Xplor-nih] Question on "no peptide bond is shown" Yang, Thao
  • [Xplor-nih] Question on "no peptide bond is shown" [email protected]
  • [Xplor-nih] Question on "no peptide bond is shown" [email protected]
  • [Xplor-nih] Question on "no peptide bond is shown" [email protected]
• [Xplor-nih] multiple structures in same xplor instance Benjamin Stauch
  • [Xplor-nih] multiple structures in same xplor instance [email protected]
• [Xplor-nih] custom energy functions Benjamin Stauch
  • [Xplor-nih] custom energy functions [email protected]
• [Xplor-nih] Empty conformations - frename: failed to rename Pooja Jain
  • [Xplor-nih] Empty conformations - frename: failed to rename [email protected]
• [Xplor-nih] Rhom hitting upper and lower limits during RDC refinement Andrew Borgert
  • [Xplor-nih] Rhom hitting upper and lower limits during RDC refinement [email protected]
• [Xplor-nih] too much temporary file use in xplor-nih Zdenek Salvet
  • [Xplor-nih] too much temporary file use in xplor-nih [email protected]
• [Xplor-nih] order.py example questions Giachetti Andrea - CERM
  • [Xplor-nih] order.py example questions [email protected]
• [Xplor-nih] improper and dihedral values for cis-proline Christoph Schmidt
  • [Xplor-nih] improper and dihedral values for cis-proline John Kuszewski
• [Xplor-nih] Installation Justin Lecher
  • [Xplor-nih] Installation [email protected]
  • [Xplor-nih] Variable Name Instead of Variable Content Pooja Jain
  • [Xplor-nih] Variable Name Instead of Variable Content John Kuszewski
  • [Xplor-nih] Variable Name Instead of Variable Content [email protected]
• [Xplor-nih] cis proline cipp patch Christoph Schmidt
  • [Xplor-nih] cis proline cipp patch [email protected]
• [Xplor-nih] Xplor-nih Digest, Vol 65, Issue 2 R.M. van der Werf
• [Xplor-nih] Xplor-nih Digest, Vol 65, Issue 1 [email protected]
• [Xplor-nih] Back calculation of RDC Prem Prakash Pathak
  • [Xplor-nih] Back calculation of RDC [email protected]
• [Xplor-nih] Small-molecule generation for X-plor-NIH Keith L Constantine
  • [Xplor-nih] Small-molecule generation for X-plor-NIH John Kuszewski
  • [Xplor-nih] Small-molecule generation for X-plor-NIH Keith L Constantine
  • [Xplor-nih] Small-molecule generation for X-plor-NIH Martin Stoermer
• [Xplor-nih] Dani python Mueller, Geoffrey (NIH/NIEHS)
  • [Xplor-nih] Dani python [email protected]
• [Xplor-nih] [email protected]: Re: about anneal.py [email protected]
• [Xplor-nih] Questions about tensor calculation and C++ vs Fortran code Jie-rong Huang
  • [Xplor-nih] Questions about tensor calculation and C++ vs Fortran code [email protected]
  • [Xplor-nih] Questions about tensor calculation and C++ vs Fortran code Jie-rong Huang
  • [Xplor-nih] Questions about tensor calculation and C++ vs Fortran code [email protected]
• [Xplor-nih] about anneal.py 那美荣
  • [Xplor-nih] about anneal.py 那美荣
• [Xplor-nih] new to CNS Prem Prakash Pathak
  • [Xplor-nih] new to CNS [email protected]
• [Xplor-nih] Calculation of palindromic DNA sequencev Silke Johannsen, Anorganisch-Chemisches Inst.
  • [Xplor-nih] Calculation of palindromic DNA sequencev [email protected]
  • [Xplor-nih] Calculation of palindromic DNA sequencev John Kuszewski
• [Xplor-nih] bond-breaking! David P. Giedroc
  • [Xplor-nih] bond-breaking! [email protected]
• [Xplor-nih] calculating Hydrogen Bonds in Structures Nah Sivar
  • [Xplor-nih] calculating Hydrogen Bonds in Structures [email protected]
  • [Xplor-nih] calculating Hydrogen Bonds in Structures [email protected]
• [Xplor-nih] Xplor-nih Digest, Vol 63, Issue 8 R.M. van der Werf
• [Xplor-nih] ERROR encountered on input (David P. Giedroc) John Vakonakis
• [Xplor-nih] ERROR encountered on input David P. Giedroc
• [Xplor-nih] A script for solvent modelling David Langelaan
  • [Xplor-nih] A script for solvent modelling [email protected]
• [Xplor-nih] distance plot in pyXplor Nah Sivar
  • [Xplor-nih] distance plot in pyXplor [email protected]
• [Xplor-nih] parallel marvin David A. Horita
  • [Xplor-nih] parallel marvin [email protected]
  • [Xplor-nih] parallel marvin John Kuszewski
• [Xplor-nih] [email protected]: Re: longer time taken with parallelization [email protected]
  • [Xplor-nih] longer time taken with parallelization Nah Sivar
  • [Xplor-nih] longer time taken with parallelization [email protected]
• [Xplor-nih] PASD: converting restraints to xplor Robert Schneider
  • [Xplor-nih] PASD: converting restraints to xplor John Kuszewski
• [Xplor-nih] [email protected]: Re: cis peptide bond [email protected]
• [Xplor-nih] Constrain the orientation angle Pooja Jain
  • [Xplor-nih] Constrain the orientation angle [email protected]
• [Xplor-nih] PASD: netFilter in jointFilter gets stuck Robert Schneider
  • [Xplor-nih] PASD: netFilter in jointFilter gets stuck John Kuszewski
  • [Xplor-nih] PASD: netFilter in jointFilter gets stuck Robert Schneider
• [Xplor-nih] Saving the Trajectory Nah Sivar
  • [Xplor-nih] Saving the Trajectory [email protected]
• [Xplor-nih] A simple python script for SA Nah Sivar
  • [Xplor-nih] A simple python script for SA [email protected]
• [Xplor-nih] Multi-core problems with xplor-NIH R.M. van der Werf
  • [Xplor-nih] Multi-core problems with xplor-NIH [email protected]
  • [Xplor-nih] Multi-core problems with xplor-NIH R.M. van der Werf
• [Xplor-nih] Using Amber force field in xplor-nih Qi Zhang
  • [Xplor-nih] Using Amber force field in xplor-nih [email protected]
• [Xplor-nih] Process: Irregular Exit ? Nah Sivar
  • [Xplor-nih] Process: Irregular Exit ? [email protected]
  • [Xplor-nih] Process: Irregular Exit ? Nah Sivar
  • [Xplor-nih] Process: Irregular Exit ? [email protected]
  • [Xplor-nih] Process: Irregular Exit ? Nah Sivar
  • [Xplor-nih] Process: Irregular Exit ? [email protected]
  • [Xplor-nih] Process: Irregular Exit ? Nah Sivar
• [Xplor-nih] Calculation of palindromic DNA sequence Silke Johannsen, Anorganisch-Chemisches Inst.
  • [Xplor-nih] Calculation of palindromic DNA sequence [email protected]
• [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein Marius Clore
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
  • [Xplor-nih] Ensemble calculation of denatured protein Jie-rong Huang
  • [Xplor-nih] Ensemble calculation of denatured protein [email protected]
• [Xplor-nih] Calculating Radius of Gyration Nah Sivar
  • [Xplor-nih] Calculating Radius of Gyration John Kuszewski
• [Xplor-nih] paiwise RMSD Sanaz Dovell
  • [Xplor-nih] paiwise RMSD [email protected]
  • [Xplor-nih] paiwise RMSD Nah Sivar
  • [Xplor-nih] paiwise RMSD [email protected]
• [Xplor-nih] error in torsion topology Sanaz Dovell
  • [Xplor-nih] error in torsion topology [email protected]
• [Xplor-nih] Distance from PRE Suja Naren
  • [Xplor-nih] Distance from PRE Marius Clore
• [Xplor-nih] protocol for rna structure refinement Brendan Duggan
  • [Xplor-nih] protocol for rna structure refinement [email protected]
• [Xplor-nih] installing xplor-nih on macbook running leopard Sanaz Dovell
  • [Xplor-nih] installing xplor-nih on macbook running leopard [email protected]
• [Xplor-nih] %CODBON-ERR: missing bond parameters [email protected]
  • [Xplor-nih] %CODBON-ERR: missing bond parameters [email protected]
• [Xplor-nih] seq2psf topology file [email protected]
  • [Xplor-nih] seq2psf topology file [email protected]
• [Xplor-nih] Discrepancy in refine.py threshold values Andrew Borgert
  • [Xplor-nih] Discrepancy in refine.py threshold values [email protected]
  • [Xplor-nih] Discrepancy in refine.py threshold values Andrew Borgert
  • [Xplor-nih] Discrepancy in refine.py threshold values [email protected]
• [Xplor-nih] water refinement Hongyan Li
  • [Xplor-nih] water refinement Jelena Habjanič
  • Re: [Xplor-nih] water refinement Charles Schwieters
• [Xplor-nih] Dihedrals Sampling Ravi Shankar
  • [Xplor-nih] Dihedrals Sampling [email protected]
• [Xplor-nih] How to incorporate different mutants into the same calculation? Jie-rong Huang
  • [Xplor-nih] How to incorporate different mutants into the same calculation? [email protected]
• [Xplor-nih] Mac OS X Leopard: xplor not configured for platform: Darwin_9_x86 Martin Allan
  • [Xplor-nih] Mac OS X Leopard: xplor not configured for platform: Darwin_9_x86 [email protected]
  • [Xplor-nih] Mac OS X Leopard: xplor not configured for platform: Darwin_9_x86 Ben Eisenbraun
• [Xplor-nih] rna database potential refinement Gokul Ramaswami
  • [Xplor-nih] rna database potential refinement John Kuszewski
  • [Xplor-nih] rna database potential refinement Gokul Ramaswami
• [Xplor-nih] RDC refinement (global) R.M. van der Werf
  • [Xplor-nih] RDC refinement (global) John Kuszewski
  • [Xplor-nih] RDC refinement (global) R.M. van der Werf
  • [Xplor-nih] RDC refinement (global) [email protected]
  • [Xplor-nih] posSymmPot IVM problems Jakob Toudahl Nielsen
  • [Xplor-nih] posSymmPot IVM problems [email protected]
• [Xplor-nih] Reg: Incorporation of disulfide bridge in anneal.py script [email protected]
  • [Xplor-nih] Reg: Incorporation of disulfide bridge in anneal.py script [email protected]
• [Xplor-nih] difficulty with addAtoms Jeff Ellena

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