xplor-nih

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2016/11/30 Re: [Xplor-nih] fixupCovalentGeom: Covalent geometry still violated at exit Charles Schwieters
2016/11/30 [Xplor-nih] fixupCovalentGeom: Covalent geometry still violated at exit HOUSTON Douglas
2016/11/29 Re: [Xplor-nih] Atom selection question Hu, Qi, Ph.D.
2016/11/29 Re: [Xplor-nih] Atom selection question Charles Schwieters
2016/11/29 [Xplor-nih] Atom selection question Hu, Qi, Ph.D.
2016/11/08 Re: [Xplor-nih] refine.py script handling off RDCs Charles Schwieters
2016/11/07 Re: [Xplor-nih] refine.py script handling off RDCs Lisa Tuttle
2016/11/04 Re: [Xplor-nih] About HBDA term Val Yu
2016/11/04 Re: [Xplor-nih] About HBDA term Charles Schwieters
2016/11/03 Re: [Xplor-nih] About HBDA term Val Yu
2016/11/03 Re: [Xplor-nih] About HBDA term Charles Schwieters
2016/11/03 [Xplor-nih] About HBDA term Val Yu
2016/11/01 Re: [Xplor-nih] NOE scale factor Charles Schwieters
2016/10/26 Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
2016/10/26 Re: [Xplor-nih] refine.py script handling off RDCs Clore, Marius (NIH/NIDDK) [E]
2016/10/26 Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
2016/10/26 Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
2016/10/26 Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
2016/10/26 Re: [Xplor-nih] refine.py script handling off RDCs Clore, Marius (NIH/NIDDK) [E]
2016/10/26 [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
2016/10/25 Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
2016/10/25 Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
2016/10/24 Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
2016/10/24 Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
2016/10/24 Re: [Xplor-nih] refine.py script handling off RDCs Gabriel Cornilescu
2016/10/24 Re: [Xplor-nih] refine.py script handling off RDCs Emmanouilidis, Leonidas
2016/10/24 Re: [Xplor-nih] refine.py script handling off RDCs Charles Schwieters
2016/10/24 [Xplor-nih] refine.py script handling off RDCs Leonidas
2016/10/21 Re: [Xplor-nih] ensemble reifnement with ATCUN PRE data Charles Schwieters
2016/10/20 Re: [Xplor-nih] ensemble reifnement with ATCUN PRE data Lisa Tuttle
2016/10/18 Re: [Xplor-nih] ensemble reifnement with ATCUN PRE data Charles Schwieters
2016/10/18 [Xplor-nih] ensemble reifnement with ATCUN PRE data tuttlelm
2016/10/17 Re: [Xplor-nih] Xplor-NIH segmentation fault Charles Schwieters
2016/10/17 [Xplor-nih] Xplor-NIH segmentation fault HOUSTON Douglas
2016/10/07 Re: [Xplor-nih] unknown atomic coordinates -error Katrine Østergaard Bugge
2016/10/06 Re: [Xplor-nih] unknown atomic coordinates -error Charles Schwieters
2016/10/06 [Xplor-nih] unknown atomic coordinates -error Katrine Østergaard Bugge
2016/09/23 Re: [Xplor-nih] Implementing an ensemble within the PASD scripts Charles Schwieters
2016/09/23 [Xplor-nih] Implementing an ensemble within the PASD scripts Keith Cross
2016/09/06 Re: [Xplor-nih] NCS+density map Diego GAUTO
2016/09/06 Re: [Xplor-nih] NCS+density map Charles Schwieters
2016/09/05 [Xplor-nih] NCS+density map Diego GAUTO
2016/08/25 Re: [Xplor-nih] eefxPotTools with ensemble solutions Charles Schwieters
2016/08/25 [Xplor-nih] eefxPotTools with ensemble solutions Lisa Tuttle
2016/07/29 Re: [Xplor-nih] Align small molecule in protein Charles Schwieters
2016/07/29 Re: [Xplor-nih] Align small molecule in protein Val Yu
2016/07/29 Re: [Xplor-nih] Align small molecule in protein Charles Schwieters
2016/07/29 Re: [Xplor-nih] Align small molecule in protein Bermejo, Guillermo (NIH/CIT) [E]
2016/07/29 [Xplor-nih] Align small molecule in protein Val Yu
2016/07/24 Re: [Xplor-nih] Help on small molecule parameterization Charles Schwieters
2016/07/20 Re: [Xplor-nih] using RDC in a membrane protein structure determination [email protected]
2016/07/20 Re: [Xplor-nih] using RDC in a membrane protein structure determination Charles Schwieters
2016/07/19 [Xplor-nih] using RDC in a membrane protein structure determination [email protected]
2016/07/15 Re: [Xplor-nih] Help on small molecule parameterization [email protected]
2016/07/15 Re: [Xplor-nih] Help on small molecule parameterization Gabriel Cornilescu
2016/07/15 [Xplor-nih] Help on small molecule parameterization Val Yu
2016/07/07 Re: [Xplor-nih] About histidine protonation state Bermejo, Guillermo (NIH/CIT) [E]
2016/07/06 Re: [Xplor-nih] About histidine protonation state Val Yu
2016/06/24 Re: [Xplor-nih] eefx Charles Schwieters
2016/06/24 Re: [Xplor-nih] fix the molecular covalent geometry Charles Schwieters
2016/06/24 Re: [Xplor-nih] fix the molecular covalent geometry Bermejo, Guillermo (NIH/CIT) [E]
2016/06/24 [Xplor-nih] eefx Krish Krishnan
2016/06/24 [Xplor-nih] fix the molecular covalent geometry ZhangYikan
2016/06/15 Re: [Xplor-nih] Ways to add hydrogen to crystal structure and suitable for Xplor-NIH calculation [email protected]
2016/06/14 Re: [Xplor-nih] Ways to add hydrogen to crystal structure and suitable for Xplor-NIH calculation Charles Schwieters
2016/06/14 Re: [Xplor-nih] best way to calculate complex structure Charles Schwieters
2016/06/13 Re: [Xplor-nih] Ways to add hydrogen to crystal structure and suitable for Xplor-NIH calculation Emmanouilidis, Leonidas
2016/06/13 [Xplor-nih] Ways to add hydrogen to crystal structure and suitable for Xplor-NIH calculation Val Yu
2016/06/13 Re: [Xplor-nih] best way to calculate complex structure Emmanouilidis Leonidas
2016/06/13 Re: [Xplor-nih] best way to calculate complex structure Charles Schwieters
2016/06/11 [Xplor-nih] best way to calculate complex structure Emmanouilidis, Leonidas
2016/06/09 Re: [Xplor-nih] About Xplor potential terms Charles Schwieters
2016/06/09 [Xplor-nih] About Xplor potential terms Val Yu
2016/06/07 Re: [Xplor-nih] About histidine protonation state Charles Schwieters
2016/06/07 Re: [Xplor-nih] About histidine protonation state Bermejo, Guillermo (NIH/CIT) [E]
2016/06/06 [Xplor-nih] About histidine protonation state Val Yu
2016/06/04 Re: [Xplor-nih] weight factors for different types of RDCs Gabriel Cornilescu
2016/06/04 Re: [Xplor-nih] weight factors for different types of RDCs Emmanouilidis, Leonidas
2016/06/03 Re: [Xplor-nih] weight factors for different types of RDCs Charles Schwieters
2016/06/03 Re: [Xplor-nih] weight factors for different types of RDCs Gabriel Cornilescu
2016/06/03 Re: [Xplor-nih] weight factors for different types of RDCs Leonidas
2016/06/03 Re: [Xplor-nih] weight factors for different types of RDCs Charles Schwieters
2016/06/03 [Xplor-nih] weight factors for different types of RDCs Leonidas
2016/05/27 Re: [Xplor-nih] There is something wrong when I run my python scripts to run CNS Charles Schwieters
2016/05/27 [Xplor-nih] There is something wrong when I run my python scripts to run CNS ZhangYikan
2016/05/20 Re: [Xplor-nih] help for large scale structure refinement using CNS Charles Schwieters
2016/05/20 [Xplor-nih] help for large scale structure refinement using CNS ZhangYikan
2016/05/11 Re: [Xplor-nih] ensemble calculation with PREs Charles Schwieters
2016/05/11 [Xplor-nih] ensemble calculation with PREs Liu Wei
2016/05/07 Re: [Xplor-nih] scaling of RDCs Charles Schwieters
2016/05/07 [Xplor-nih] scaling of RDCs Leonidas
2016/05/06 Re: [Xplor-nih] refine crystal structure with RDCs only Charles Schwieters
2016/05/06 Re: [Xplor-nih] refine crystal structure with RDCs only Leonidas
2016/05/05 Re: [Xplor-nih] refine crystal structure with RDCs only Charles Schwieters
2016/05/05 [Xplor-nih] refine crystal structure with RDCs only Leonidas
2016/04/02 Re: [Xplor-nih] ACA 2016 SAS Workshop Kushol Gupta
2016/03/20 Re: [Xplor-nih] Generate Extended Peptide Structure Justin Douglas
2016/03/19 Re: [Xplor-nih] time averaged NOE Charles Schwieters
2016/03/19 Re: [Xplor-nih] time averaged NOE Charles Schwieters
2016/03/19 Re: [Xplor-nih] Generate Extended Peptide Structure Bermejo, Guillermo (NIH/CIT) [E]
2016/03/19 Re: [Xplor-nih] Generate Extended Peptide Structure Bermejo, Guillermo (NIH/CIT) [E]
2016/03/19 [Xplor-nih] Generate Extended Peptide Structure Justin Douglas
2016/03/18 Re: [Xplor-nih] time averaged NOE Pascal, Steven M.
2016/03/15 [Xplor-nih] time averaged NOE Pascal, Steven M.
2016/03/03 [Xplor-nih] Forgotten Xplor-NIH Download Password for user justindo Justin Douglas
2016/02/01 [Xplor-nih] ACA 2016 SAS Workshop Kushol Gupta
2016/01/28 Re: [Xplor-nih] phosphoserine topology and parameter and prot-pept refinement example Charles Schwieters
2016/01/27 [Xplor-nih] phosphoserine topology and parameter and prot-pept refinement example Yuan Yang
2015/12/11 Re: [Xplor-nih] Question about atom-based parameter and rigid ligand Charles Schwieters
2015/12/10 [Xplor-nih] Question about atom-based parameter and rigid ligand Val Yu
2015/11/25 Re: [Xplor-nih] XPLOR installation on Mac Ashish Sethi
2015/11/25 Re: [Xplor-nih] XPLOR installation on Mac Charles Schwieters
2015/11/25 [Xplor-nih] XPLOR installation on Mac Ashish Sethi
2015/11/18 Re: [Xplor-nih] Ensemble Calculation Charles Schwieters
2015/11/18 [Xplor-nih] Ensemble Calculation Liu Wei
2015/11/04 Re: [Xplor-nih] protein and dna docking with PRE Charles Schwieters
2015/11/04 Re: [Xplor-nih] protein and dna docking with PRE LIU Changdong
2015/11/02 Re: [Xplor-nih] protein and dna docking with PRE Charles Schwieters
2015/10/31 [Xplor-nih] protein and dna docking with PRE LIU Changdong
2015/10/31 [Xplor-nih] protein and dna docking with PRE LIU Changdong
2015/10/30 Re: [Xplor-nih] calculation with PRE data by "newRefine.py" Charles Schwieters
2015/10/30 Re: [Xplor-nih] calculation with PRE data by "newRefine.py" LIU Changdong
2015/10/29 Re: [Xplor-nih] calculation with PRE data by "newRefine.py" Charles Schwieters
2015/10/29 [Xplor-nih] calculation with PRE data by "newRefine.py" LIU Changdong
2015/10/19 Re: [Xplor-nih] Large VDW energy during annealing steps Charles Schwieters
2015/10/19 [Xplor-nih] Large VDW energy during annealing steps Peng Junhui
2015/09/29 Re: [Xplor-nih] Large IMPR anlge energies when doing rigid body modeling using Xplor-NIH Charles Schwieters
2015/09/28 Re: [Xplor-nih] Large IMPR anlge energies when doing rigid body modeling using Xplor-NIH Charles Schwieters
2015/09/17 Re: [Xplor-nih] Program abruptly ends during loop to modify structures Charles Schwieters
2015/09/17 [Xplor-nih] Program abruptly ends during loop to modify structures Mahler, Bryon
2015/08/27 Re: [Xplor-nih] high VDW question (and mailing list is offline?) Bermejo, Guillermo (NIH/CIT) [E]
2015/08/27 Re: [Xplor-nih] high VDW question (and mailing list is offline?) Ryan Hoffman
2015/08/27 Re: [Xplor-nih] high VDW question (and mailing list is offline?) Bermejo, Guillermo (NIH/CIT) [E]
2015/08/27 [Xplor-nih] high VDW question (and mailing list is offline?) Ryan Hoffman
2015/08/27 Re: [Xplor-nih] xcamshift 1.0 release Gary Thompson
2015/08/25 Re: [Xplor-nih] Ensemble averaging and tDB Charles Schwieters
2015/08/25 Re: [Xplor-nih] xcamshift 1.0 release Jakob Toudahl Nielsen
2015/08/17 Re: [Xplor-nih] generating pdb file containg EDTA-MN labled THY Charles Schwieters
2015/08/17 [Xplor-nih] generating pdb file containg EDTA-MN labled THY LIU Changdong
2015/08/17 Re: [Xplor-nih] RDC and SAXS refinement of multi-domain proteins. Charles Schwieters
2015/08/14 [Xplor-nih] RDC and SAXS refinement of multi-domain proteins. Bobby, Romel
2015/07/22 Re: [Xplor-nih] Question Charles Schwieters
2015/07/22 [Xplor-nih] Question Chiara Del Piccolo
2015/06/25 Re: [Xplor-nih] sample script for ensemble PRE run? Charles Schwieters
2015/06/24 [Xplor-nih] sample script for ensemble PRE run? Mark Girvin
2015/06/18 Re: [Xplor-nih] Implicit membrane Charles Schwieters
2015/06/18 Re: [Xplor-nih] Implicit membrane V . V .
2015/06/18 Re: [Xplor-nih] Python scripts for DNA-protein complex refinement Charles Schwieters
2015/06/18 Re: [Xplor-nih] Python scripts for DNA-protein complex refinement Hu, Qi, Ph.D.
2015/06/18 [Xplor-nih] Python scripts for DNA-protein complex refinement Xiaogang Niu
2015/06/17 Re: [Xplor-nih] Implicit membrane Charles Schwieters
2015/06/17 Re: [Xplor-nih] Implicit membrane V . V .
2015/06/17 Re: [Xplor-nih] Implicit membrane Charles Schwieters
2015/06/16 [Xplor-nih] Implicit membrane V . V .
2015/06/11 Re: [Xplor-nih] fixupCovalentGeom and extraTerms Charles Schwieters
2015/06/11 [Xplor-nih] fixupCovalentGeom and extraTerms Jakob Toudahl Nielsen
2015/06/08 Re: [Xplor-nih] problem incorporating multiple PCS and RDC restraint files Charles Schwieters
2015/06/08 [Xplor-nih] problem incorporating multiple PCS and RDC restraint files Taylor Cole
2015/06/08 Re: [Xplor-nih] Protein refinement with saxs data Charles Schwieters
2015/06/08 Re: [Xplor-nih] Protein refinement with saxs data Tiago Gomes
2015/06/08 Re: [Xplor-nih] Protein refinement with saxs data Charles Schwieters
2015/06/08 [Xplor-nih] Protein refinement with saxs data Tiago Gomes
2015/05/29 Re: [Xplor-nih] script for multidomain ensemble average against rdc and pre Charles Schwieters
2015/05/29 [Xplor-nih] script for multidomain ensemble average against rdc and pre Hu, Qi, Ph.D.
2015/05/27 Re: [Xplor-nih] RNA rigid body minimization Charles Schwieters
2015/05/26 Re: [Xplor-nih] RNA rigid body minimization Shan Hsieh
2015/05/26 Re: [Xplor-nih] RNA rigid body minimization Charles Schwieters
2015/05/25 Re: [Xplor-nih] RNA rigid body minimization Shan Hsieh
2015/05/25 Re: [Xplor-nih] cyclic peptide connection Xiaogang Niu
2015/05/22 Re: [Xplor-nih] RNA rigid body minimization Charles Schwieters
2015/05/22 Re: [Xplor-nih] RNA rigid body minimization Shan Hsieh
2015/05/22 Re: [Xplor-nih] RNA rigid body minimization Charles Schwieters
2015/05/22 [Xplor-nih] RNA rigid body minimization Shan Hsieh
2015/05/21 [Xplor-nih] email address change Kate Godin
2015/05/21 Re: [Xplor-nih] cyclic peptide connection Charles Schwieters
2015/05/21 Re: [Xplor-nih] cyclic peptide connection Xiaogang Niu
2015/05/18 Re: [Xplor-nih] cyclic peptide connection Charles Schwieters
2015/05/17 [Xplor-nih] xcamshift 1.0 release Gary Thompson
2015/05/17 Re: [Xplor-nih] cyclic peptide connection Xiaogang Niu
2015/05/15 Re: [Xplor-nih] cyclic peptide connection Charles Schwieters
2015/05/15 [Xplor-nih] cyclic peptide connection Xiaogang Niu
2015/05/06 Re: [Xplor-nih] refinement with RDCs and PCSs Charles Schwieters
2015/05/06 [Xplor-nih] refinement with RDCs and PCSs Taylor Cole
2015/05/05 Re: [Xplor-nih] Angle Violations of Proline Rings Ryan Hoffman
2015/05/05 Re: [Xplor-nih] Angle Violations of Proline Rings Charles Schwieters
2015/05/05 Re: [Xplor-nih] Angle Violations of Proline Rings Rigling Carla
2015/05/04 Re: [Xplor-nih] Angle Violations of Proline Rings Charles Schwieters
2015/05/04 [Xplor-nih] Angle Violations of Proline Rings Rigling Carla
2015/04/30 Re: [Xplor-nih] force constant of PCS restraint Charles Schwieters
2015/04/29 [Xplor-nih] force constant of PCS restraint 陈家良
2015/04/24 [Xplor-nih] noe back-calc for RNA Pascal, Steven M.
2015/04/16 Re: [Xplor-nih] Cis Proline patch in water refinement Charles Schwieters
2015/04/15 Re: [Xplor-nih] Cis Proline patch in water refinement Charles Schwieters
2015/04/15 Re: [Xplor-nih] Cis Proline patch in water refinement Charles Schwieters
2015/04/15 [Xplor-nih] Cis Proline patch in water refinement Yuan Yang
2015/03/23 Re: [Xplor-nih] refining Charles Schwieters
2015/03/23 Re: [Xplor-nih] Refinement and crapot in xplor Charles Schwieters
2015/03/23 [Xplor-nih] refining Sina Rastegar
2015/03/23 [Xplor-nih] Refinement and crapot in xplor Sina Rastegar
2015/03/20 Re: [Xplor-nih] new user Charles Schwieters