1 Feb 16:51 2016Kushol Gupta
*ACA 2016 SAS Workshop
27 Jan 23:51 2016Yuan Yang
*phosphoserine topology and parameter and prot-pept refinement example
28 Jan 17:21 2016Charles Schwieters
**phosphoserine topology and parameter and prot-pept refinement example
11 Dec 00:27 2015Val Yu
*Question about atom-based parameter and rigid ligand
11 Dec 16:12 2015Charles Schwieters
**Question about atom-based parameter and rigid ligand
26 Nov 01:06 2015Ashish Sethi
*XPLOR installation on Mac
26 Nov 01:17 2015Charles Schwieters
**XPLOR installation on Mac
26 Nov 01:23 2015Ashish Sethi
***XPLOR installation on Mac
18 Nov 16:39 2015Liu Wei
*Ensemble Calculation
18 Nov 17:40 2015Charles Schwieters
**Ensemble Calculation
31 Oct 15:34 2015LIU Changdong
*protein and dna docking with PRE
2 Nov 16:56 2015Charles Schwieters
**protein and dna docking with PRE
4 Nov 16:36 2015LIU Changdong
***protein and dna docking with PRE
4 Nov 17:07 2015Charles Schwieters
****protein and dna docking with PRE
31 Oct 15:02 2015LIU Changdong
*protein and dna docking with PRE
29 Oct 16:34 2015LIU Changdong
*calculation with PRE data by "newRefine.py"
29 Oct 19:25 2015Charles Schwieters
**calculation with PRE data by "newRefine.py"
30 Oct 08:31 2015LIU Changdong
***calculation with PRE data by "newRefine.py"
30 Oct 16:36 2015Charles Schwieters
****calculation with PRE data by "newRefine.py"
19 Oct 11:52 2015Peng Junhui
*Large VDW energy during annealing steps
19 Oct 15:53 2015Charles Schwieters
**Large VDW energy during annealing steps
29 Sep 16:16 2015Charles Schwieters
*Large IMPR anlge energies when doing rigid body modeling using Xplor-N
28 Sep 20:00 2015Charles Schwieters
*Large IMPR anlge energies when doing rigid body modeling using Xplor-N
17 Sep 22:37 2015Mahler, Bryon
*Program abruptly ends during loop to modify structures
17 Sep 23:00 2015Charles Schwieters
**Program abruptly ends during loop to modify structures
27 Aug 18:49 2015Ryan Hoffman
*high VDW question (and mailing list is offline?)
27 Aug 19:51 2015Bermejo, Guillermo (NIH/CIT) [
**high VDW question (and mailing list is offline?)
27 Aug 20:53 2015Ryan Hoffman
***high VDW question (and mailing list is offline?)
27 Aug 21:41 2015Bermejo, Guillermo (NIH/CIT) [
****high VDW question (and mailing list is offline?)
25 Aug 16:35 2015Charles Schwieters
*Ensemble averaging and tDB
17 Aug 17:38 2015LIU Changdong
*generating pdb file containg EDTA-MN labled THY
17 Aug 22:40 2015Charles Schwieters
**generating pdb file containg EDTA-MN labled THY
14 Aug 18:03 2015Bobby, Romel
*RDC and SAXS refinement of multi-domain proteins.
17 Aug 14:21 2015Charles Schwieters
**RDC and SAXS refinement of multi-domain proteins.
22 Jul 05:19 2015Chiara Del Piccolo
*Question
22 Jul 15:43 2015Charles Schwieters
**Question
25 Jun 00:38 2015Mark Girvin
*sample script for ensemble PRE run?
25 Jun 18:02 2015Charles Schwieters
**sample script for ensemble PRE run?
18 Jun 15:20 2015Xiaogang Niu
*Python scripts for DNA-protein complex refinement
18 Jun 15:38 2015Hu, Qi, Ph.D.
**Python scripts for DNA-protein complex refinement
18 Jun 17:47 2015Charles Schwieters
***Python scripts for DNA-protein complex refinement
17 Jun 00:05 2015V.V.
*Implicit membrane
17 Jun 19:59 2015Charles Schwieters
**Implicit membrane
17 Jun 20:32 2015V.V.
***Implicit membrane
17 Jun 20:39 2015Charles Schwieters
****Implicit membrane
18 Jun 19:08 2015V.V.
*****Implicit membrane
19 Jun 02:58 2015Charles Schwieters
******Implicit membrane
11 Jun 11:10 2015Jakob Toudahl Nielsen
*fixupCovalentGeom and extraTerms
11 Jun 17:18 2015Charles Schwieters
**fixupCovalentGeom and extraTerms
9 Jun 00:51 2015Taylor Cole
*problem incorporating multiple PCS and RDC restraint files
9 Jun 02:55 2015Charles Schwieters
**problem incorporating multiple PCS and RDC restraint files
8 Jun 16:47 2015Tiago Gomes
*Protein refinement with saxs data
8 Jun 18:12 2015Charles Schwieters
**Protein refinement with saxs data
8 Jun 19:09 2015Tiago Gomes
***Protein refinement with saxs data
8 Jun 19:30 2015Charles Schwieters
****Protein refinement with saxs data
29 May 22:15 2015Hu, Qi, Ph.D.
*script for multidomain ensemble average against rdc and pre
30 May 03:26 2015Charles Schwieters
**script for multidomain ensemble average against rdc and pre
22 May 15:40 2015Shan Hsieh
*RNA rigid body minimization
22 May 16:09 2015Charles Schwieters
**RNA rigid body minimization
22 May 16:17 2015Shan Hsieh
***RNA rigid body minimization
22 May 16:22 2015Charles Schwieters
****RNA rigid body minimization
26 May 03:06 2015Shan Hsieh
*****RNA rigid body minimization
26 May 16:05 2015Charles Schwieters
******RNA rigid body minimization
27 May 05:08 2015Shan Hsieh
*******RNA rigid body minimization
27 May 16:01 2015Charles Schwieters
********RNA rigid body minimization
21 May 23:28 2015Kate Godin
*email address change
17 May 21:51 2015Gary Thompson
*xcamshift 1.0 release
25 Aug 11:49 2015Jakob Toudahl Nielsen
**xcamshift 1.0 release
27 Aug 10:21 2015Gary Thompson
***xcamshift 1.0 release
15 May 10:56 2015Xiaogang Niu
*cyclic peptide connection
15 May 17:58 2015Charles Schwieters
**cyclic peptide connection
17 May 09:37 2015Xiaogang Niu
***cyclic peptide connection
18 May 21:25 2015Charles Schwieters
****cyclic peptide connection
21 May 14:28 2015Xiaogang Niu
*****cyclic peptide connection
21 May 17:02 2015Charles Schwieters
******cyclic peptide connection
25 May 13:18 2015Xiaogang Niu
*******cyclic peptide connection
6 May 20:55 2015Taylor Cole
*refinement with RDCs and PCSs
6 May 22:12 2015Charles Schwieters
**refinement with RDCs and PCSs
4 May 11:12 2015Rigling Carla
*Angle Violations of Proline Rings
4 May 17:41 2015Charles Schwieters
**Angle Violations of Proline Rings
5 May 12:52 2015Rigling Carla
***Angle Violations of Proline Rings
5 May 15:46 2015Charles Schwieters
****Angle Violations of Proline Rings
5 May 18:31 2015Ryan Hoffman
**Angle Violations of Proline Rings
30 Apr 03:11 2015陈家良
*force constant of PCS restraint
30 Apr 20:05 2015Charles Schwieters
**force constant of PCS restraint
24 Apr 21:25 2015Pascal, Steven M.
*noe back-calc for RNA
16 Apr 16:23 2015Charles Schwieters
*Cis Proline patch in water refinement
15 Apr 20:15 2015Charles Schwieters
*Cis Proline patch in water refinement
15 Apr 17:41 2015Yuan Yang
*Cis Proline patch in water refinement
15 Apr 18:13 2015Charles Schwieters
**Cis Proline patch in water refinement
23 Mar 22:41 2015Sina Rastegar
*refining
24 Mar 01:50 2015Charles Schwieters
**refining
23 Mar 22:30 2015Sina Rastegar
*Refinement and crapot in xplor
24 Mar 01:47 2015Charles Schwieters
**Refinement and crapot in xplor
20 Mar 22:23 2015Sina Rastegar
*new user
21 Mar 02:20 2015Charles Schwieters
**new user
11 Mar 10:57 2015CUNIASSE Philippe 126390
*SAXS and Cross Validation
11 Mar 15:28 2015Charles Schwieters
**SAXS and Cross Validation
13 Feb 20:53 2015Yuan Yang
*Torsion DB Pot violations and deviation from ideal geometry
13 Feb 22:35 2015Bermejo, Guillermo (NIH/CIT) [
**Torsion DB Pot violations and deviation from ideal geometry