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• • Re: [Xplor-nih] About HBDA term Charles Schwieters
  • Re: [Xplor-nih] About HBDA term Val Yu
• Re: [Xplor-nih] NOE scale factor Charles Schwieters
• [Xplor-nih] refine.py script handling off RDCs Leonidas
  • Re: [Xplor-nih] refine.py script handling off RDCs Charles Schwieters
  • Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
  • Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
  • Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
  • Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
  • Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
  • Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
  • [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
  • Re: [Xplor-nih] refine.py script handling off RDCs Clore, Marius (NIH/NIDDK) [E]
  • Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
  • Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
  • Re: [Xplor-nih] refine.py script handling off RDCs Clore, Marius (NIH/NIDDK) [E]
  • Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
  • Re: [Xplor-nih] refine.py script handling off RDCs Lisa Tuttle
  • Re: [Xplor-nih] refine.py script handling off RDCs Charles Schwieters
  • Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
• [Xplor-nih] ensemble reifnement with ATCUN PRE data tuttlelm
  • Re: [Xplor-nih] ensemble reifnement with ATCUN PRE data Charles Schwieters
  • Re: [Xplor-nih] ensemble reifnement with ATCUN PRE data Lisa Tuttle
  • Re: [Xplor-nih] ensemble reifnement with ATCUN PRE data Charles Schwieters
• [Xplor-nih] Xplor-NIH segmentation fault HOUSTON Douglas
  • Re: [Xplor-nih] Xplor-NIH segmentation fault Charles Schwieters
• [Xplor-nih] unknown atomic coordinates -error Katrine Østergaard Bugge
  • Re: [Xplor-nih] unknown atomic coordinates -error Charles Schwieters
  • Re: [Xplor-nih] unknown atomic coordinates -error Katrine Østergaard Bugge
• [Xplor-nih] Implementing an ensemble within the PASD scripts Keith Cross
  • Re: [Xplor-nih] Implementing an ensemble within the PASD scripts Charles Schwieters
• [Xplor-nih] NCS+density map Diego GAUTO
  • Re: [Xplor-nih] NCS+density map Charles Schwieters
  • Re: [Xplor-nih] NCS+density map Diego GAUTO
• [Xplor-nih] eefxPotTools with ensemble solutions Lisa Tuttle
  • Re: [Xplor-nih] eefxPotTools with ensemble solutions Charles Schwieters
• [Xplor-nih] Align small molecule in protein Val Yu
  • Re: [Xplor-nih] Align small molecule in protein Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] Align small molecule in protein Val Yu
  • Re: [Xplor-nih] Align small molecule in protein Charles Schwieters
  • Re: [Xplor-nih] Align small molecule in protein Charles Schwieters
• [Xplor-nih] using RDC in a membrane protein structure determination [email protected]
  • Re: [Xplor-nih] using RDC in a membrane protein structure determination Charles Schwieters
  • Re: [Xplor-nih] using RDC in a membrane protein structure determination [email protected]
• [Xplor-nih] Help on small molecule parameterization Val Yu
  • Re: [Xplor-nih] Help on small molecule parameterization Gabriel Cornilescu
  • Re: [Xplor-nih] Help on small molecule parameterization [email protected]
  • Re: [Xplor-nih] Help on small molecule parameterization Charles Schwieters
• [Xplor-nih] eefx Krish Krishnan
  • Re: [Xplor-nih] eefx Charles Schwieters
• [Xplor-nih] fix the molecular covalent geometry ZhangYikan
  • Re: [Xplor-nih] fix the molecular covalent geometry Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] fix the molecular covalent geometry Charles Schwieters
• [Xplor-nih] Ways to add hydrogen to crystal structure and suitable for Xplor-NIH calculation Val Yu
  • Re: [Xplor-nih] Ways to add hydrogen to crystal structure and suitable for Xplor-NIH calculation Emmanouilidis, Leonidas
  • Re: [Xplor-nih] Ways to add hydrogen to crystal structure and suitable for Xplor-NIH calculation Charles Schwieters
  • Re: [Xplor-nih] Ways to add hydrogen to crystal structure and suitable for Xplor-NIH calculation [email protected]
• [Xplor-nih] best way to calculate complex structure Emmanouilidis, Leonidas
  • Re: [Xplor-nih] best way to calculate complex structure Charles Schwieters
  • Re: [Xplor-nih] best way to calculate complex structure Emmanouilidis Leonidas
  • Re: [Xplor-nih] best way to calculate complex structure Charles Schwieters
• [Xplor-nih] About Xplor potential terms Val Yu
  • Re: [Xplor-nih] About Xplor potential terms Charles Schwieters
• [Xplor-nih] About histidine protonation state Val Yu
  • Re: [Xplor-nih] About histidine protonation state Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] About histidine protonation state Charles Schwieters
  • Re: [Xplor-nih] About histidine protonation state Val Yu
  • Re: [Xplor-nih] About histidine protonation state Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] weight factors for different types of RDCs Leonidas
  • Re: [Xplor-nih] weight factors for different types of RDCs Charles Schwieters
  • Re: [Xplor-nih] weight factors for different types of RDCs Leonidas
  • Re: [Xplor-nih] weight factors for different types of RDCs Charles Schwieters
  • Re: [Xplor-nih] weight factors for different types of RDCs Gabriel Cornilescu
  • Re: [Xplor-nih] weight factors for different types of RDCs Emmanouilidis, Leonidas
  • Re: [Xplor-nih] weight factors for different types of RDCs Gabriel Cornilescu
• [Xplor-nih] There is something wrong when I run my python scripts to run CNS ZhangYikan
  • Re: [Xplor-nih] There is something wrong when I run my python scripts to run CNS Charles Schwieters
• [Xplor-nih] help for large scale structure refinement using CNS ZhangYikan
  • Re: [Xplor-nih] help for large scale structure refinement using CNS Charles Schwieters
• [Xplor-nih] ensemble calculation with PREs Liu Wei
  • Re: [Xplor-nih] ensemble calculation with PREs Charles Schwieters
• [Xplor-nih] scaling of RDCs Leonidas
  • Re: [Xplor-nih] scaling of RDCs Charles Schwieters
• [Xplor-nih] refine crystal structure with RDCs only Leonidas
  • Re: [Xplor-nih] refine crystal structure with RDCs only Charles Schwieters
  • Re: [Xplor-nih] refine crystal structure with RDCs only Leonidas
  • Re: [Xplor-nih] refine crystal structure with RDCs only Charles Schwieters
• [Xplor-nih] Generate Extended Peptide Structure Justin Douglas
  • Re: [Xplor-nih] Generate Extended Peptide Structure Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] Generate Extended Peptide Structure Justin Douglas
  • Re: [Xplor-nih] Generate Extended Peptide Structure Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] time averaged NOE Pascal, Steven M.
  • Re: [Xplor-nih] time averaged NOE Charles Schwieters
  • Re: [Xplor-nih] time averaged NOE Pascal, Steven M.
  • Re: [Xplor-nih] time averaged NOE Charles Schwieters
• [Xplor-nih] Forgotten Xplor-NIH Download Password for user justindo Justin Douglas
• [Xplor-nih] ACA 2016 SAS Workshop Kushol Gupta
  • Re: [Xplor-nih] ACA 2016 SAS Workshop Kushol Gupta
• [Xplor-nih] phosphoserine topology and parameter and prot-pept refinement example Yuan Yang
  • Re: [Xplor-nih] phosphoserine topology and parameter and prot-pept refinement example Charles Schwieters
• [Xplor-nih] Question about atom-based parameter and rigid ligand Val Yu
  • Re: [Xplor-nih] Question about atom-based parameter and rigid ligand Charles Schwieters
• [Xplor-nih] XPLOR installation on Mac Ashish Sethi
  • Re: [Xplor-nih] XPLOR installation on Mac Charles Schwieters
  • Re: [Xplor-nih] XPLOR installation on Mac Ashish Sethi
• [Xplor-nih] Ensemble Calculation Liu Wei
  • Re: [Xplor-nih] Ensemble Calculation Charles Schwieters
  • [Xplor-nih] Ensemble calculation Keith Cross
  • Re: [Xplor-nih] Ensemble calculation Charles Schwieters
• [Xplor-nih] protein and dna docking with PRE LIU Changdong
  • [Xplor-nih] protein and dna docking with PRE LIU Changdong
  • Re: [Xplor-nih] protein and dna docking with PRE Charles Schwieters
  • Re: [Xplor-nih] protein and dna docking with PRE LIU Changdong
  • Re: [Xplor-nih] protein and dna docking with PRE Charles Schwieters
• [Xplor-nih] calculation with PRE data by "newRefine.py" LIU Changdong
  • Re: [Xplor-nih] calculation with PRE data by "newRefine.py" Charles Schwieters
  • Re: [Xplor-nih] calculation with PRE data by "newRefine.py" LIU Changdong
  • Re: [Xplor-nih] calculation with PRE data by "newRefine.py" Charles Schwieters
• [Xplor-nih] Large VDW energy during annealing steps Peng Junhui
  • Re: [Xplor-nih] Large VDW energy during annealing steps Charles Schwieters
• Re: [Xplor-nih] Large IMPR anlge energies when doing rigid body modeling using Xplor-NIH Charles Schwieters
  • Re: [Xplor-nih] Large IMPR anlge energies when doing rigid body modeling using Xplor-NIH Charles Schwieters
• [Xplor-nih] Program abruptly ends during loop to modify structures Mahler, Bryon
  • Re: [Xplor-nih] Program abruptly ends during loop to modify structures Charles Schwieters
• [Xplor-nih] high VDW question (and mailing list is offline?) Ryan Hoffman
  • Re: [Xplor-nih] high VDW question (and mailing list is offline?) Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] high VDW question (and mailing list is offline?) Ryan Hoffman
  • Re: [Xplor-nih] high VDW question (and mailing list is offline?) Bermejo, Guillermo (NIH/CIT) [E]
• Re: [Xplor-nih] Ensemble averaging and tDB Charles Schwieters
• [Xplor-nih] generating pdb file containg EDTA-MN labled THY LIU Changdong
  • Re: [Xplor-nih] generating pdb file containg EDTA-MN labled THY Charles Schwieters
• [Xplor-nih] RDC and SAXS refinement of multi-domain proteins. Bobby, Romel
  • Re: [Xplor-nih] RDC and SAXS refinement of multi-domain proteins. Charles Schwieters
• [Xplor-nih] Question Chiara Del Piccolo
  • Re: [Xplor-nih] Question Charles Schwieters
• [Xplor-nih] sample script for ensemble PRE run? Mark Girvin
  • Re: [Xplor-nih] sample script for ensemble PRE run? Charles Schwieters
• [Xplor-nih] Python scripts for DNA-protein complex refinement Xiaogang Niu
  • Re: [Xplor-nih] Python scripts for DNA-protein complex refinement Hu, Qi, Ph.D.
  • Re: [Xplor-nih] Python scripts for DNA-protein complex refinement Charles Schwieters
• [Xplor-nih] Implicit membrane V . V .
  • Re: [Xplor-nih] Implicit membrane Charles Schwieters
  • Re: [Xplor-nih] Implicit membrane V . V .
  • Re: [Xplor-nih] Implicit membrane Charles Schwieters
  • Re: [Xplor-nih] Implicit membrane V . V .
  • Re: [Xplor-nih] Implicit membrane Charles Schwieters
• [Xplor-nih] fixupCovalentGeom and extraTerms Jakob Toudahl Nielsen
  • Re: [Xplor-nih] fixupCovalentGeom and extraTerms Charles Schwieters
• [Xplor-nih] problem incorporating multiple PCS and RDC restraint files Taylor Cole
  • Re: [Xplor-nih] problem incorporating multiple PCS and RDC restraint files Charles Schwieters
• [Xplor-nih] Protein refinement with saxs data Tiago Gomes
  • Re: [Xplor-nih] Protein refinement with saxs data Charles Schwieters
  • Re: [Xplor-nih] Protein refinement with saxs data Tiago Gomes
  • Re: [Xplor-nih] Protein refinement with saxs data Charles Schwieters
• [Xplor-nih] script for multidomain ensemble average against rdc and pre Hu, Qi, Ph.D.
  • Re: [Xplor-nih] script for multidomain ensemble average against rdc and pre Charles Schwieters
• [Xplor-nih] RNA rigid body minimization Shan Hsieh
  • Re: [Xplor-nih] RNA rigid body minimization Charles Schwieters
  • Re: [Xplor-nih] RNA rigid body minimization Shan Hsieh
  • Re: [Xplor-nih] RNA rigid body minimization Charles Schwieters
  • Re: [Xplor-nih] RNA rigid body minimization Shan Hsieh
  • Re: [Xplor-nih] RNA rigid body minimization Charles Schwieters
  • Re: [Xplor-nih] RNA rigid body minimization Shan Hsieh
  • Re: [Xplor-nih] RNA rigid body minimization Charles Schwieters
• [Xplor-nih] email address change Kate Godin
• [Xplor-nih] xcamshift 1.0 release Gary Thompson
  • Re: [Xplor-nih] xcamshift 1.0 release Jakob Toudahl Nielsen
  • Re: [Xplor-nih] xcamshift 1.0 release Gary Thompson
• [Xplor-nih] cyclic peptide connection Xiaogang Niu
  • Re: [Xplor-nih] cyclic peptide connection Charles Schwieters
  • Re: [Xplor-nih] cyclic peptide connection Xiaogang Niu
  • Re: [Xplor-nih] cyclic peptide connection Charles Schwieters
  • Re: [Xplor-nih] cyclic peptide connection Xiaogang Niu
  • Re: [Xplor-nih] cyclic peptide connection Charles Schwieters
  • Re: [Xplor-nih] cyclic peptide connection Xiaogang Niu
• [Xplor-nih] refinement with RDCs and PCSs Taylor Cole
  • Re: [Xplor-nih] refinement with RDCs and PCSs Charles Schwieters
• [Xplor-nih] Angle Violations of Proline Rings Rigling Carla
  • Re: [Xplor-nih] Angle Violations of Proline Rings Charles Schwieters
  • Re: [Xplor-nih] Angle Violations of Proline Rings Rigling Carla
  • Re: [Xplor-nih] Angle Violations of Proline Rings Charles Schwieters
  • Re: [Xplor-nih] Angle Violations of Proline Rings Ryan Hoffman
• [Xplor-nih] force constant of PCS restraint 陈家良
  • Re: [Xplor-nih] force constant of PCS restraint Charles Schwieters
• [Xplor-nih] noe back-calc for RNA Pascal, Steven M.
• [Xplor-nih] Cis Proline patch in water refinement Yuan Yang
  • Re: [Xplor-nih] Cis Proline patch in water refinement Charles Schwieters
  • Re: [Xplor-nih] Cis Proline patch in water refinement Charles Schwieters
  • Re: [Xplor-nih] Cis Proline patch in water refinement Charles Schwieters
• [Xplor-nih] refining Sina Rastegar
  • Re: [Xplor-nih] refining Charles Schwieters
• [Xplor-nih] Refinement and crapot in xplor Sina Rastegar
  • Re: [Xplor-nih] Refinement and crapot in xplor Charles Schwieters
• [Xplor-nih] new user Sina Rastegar
  • Re: [Xplor-nih] new user Charles Schwieters
• [Xplor-nih] SAXS and Cross Validation CUNIASSE Philippe 126390
  • Re: [Xplor-nih] SAXS and Cross Validation Charles Schwieters
• [Xplor-nih] Torsion DB Pot violations and deviation from ideal geometry Yuan Yang
  • Re: [Xplor-nih] Torsion DB Pot violations and deviation from ideal geometry Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] Fixing Da & Rh absolutely Xu Wang

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