24 Jun 20:18 2016Krish Krishnan
*eefx
24 Jun 21:57 2016Charles Schwieters
**eefx
24 Jun 14:15 2016ZhangYikan
*fix the molecular covalent geometry
24 Jun 20:36 2016Bermejo, Guillermo (NIH/CIT) [
**fix the molecular covalent geometry
24 Jun 20:57 2016Charles Schwieters
**fix the molecular covalent geometry
14 Jun 02:57 2016Val Yu
*Ways to add hydrogen to crystal structure and suitable for Xplor-NIH c
14 Jun 03:03 2016Emmanouilidis, Leonidas
**Ways to add hydrogen to crystal structure and suitable for Xplor-NIH c
14 Jun 16:20 2016Charles Schwieters
**Ways to add hydrogen to crystal structure and suitable for Xplor-NIH c
15 Jun 23:09 2016qihyu@ucdavis.edu
***Ways to add hydrogen to crystal structure and suitable for Xplor-NIH c
11 Jun 17:05 2016Emmanouilidis, Leonidas
*best way to calculate complex structure
13 Jun 15:53 2016Charles Schwieters
**best way to calculate complex structure
13 Jun 20:50 2016Emmanouilidis Leonidas
***best way to calculate complex structure
14 Jun 15:29 2016Charles Schwieters
****best way to calculate complex structure
9 Jun 21:09 2016Val Yu
*About Xplor potential terms
9 Jun 21:54 2016Charles Schwieters
**About Xplor potential terms
7 Jun 06:48 2016Val Yu
*About histidine protonation state
7 Jun 14:29 2016Bermejo, Guillermo (NIH/CIT) [
**About histidine protonation state
7 Jun 15:42 2016Charles Schwieters
***About histidine protonation state
3 Jun 14:11 2016Leonidas
*weight factors for different types of RDCs
3 Jun 16:32 2016Charles Schwieters
**weight factors for different types of RDCs
3 Jun 16:41 2016Leonidas
***weight factors for different types of RDCs
3 Jun 17:22 2016Charles Schwieters
****weight factors for different types of RDCs
3 Jun 17:06 2016Gabriel Cornilescu
***weight factors for different types of RDCs
4 Jun 18:21 2016Emmanouilidis, Leonidas
****weight factors for different types of RDCs
4 Jun 18:54 2016Gabriel Cornilescu
*****weight factors for different types of RDCs
27 May 17:55 2016ZhangYikan
*There is something wrong when I run my python scripts to run CNS
28 May 03:27 2016Charles Schwieters
**There is something wrong when I run my python scripts to run CNS
20 May 15:53 2016ZhangYikan
*help for large scale structure refinement using CNS
20 May 16:14 2016Charles Schwieters
**help for large scale structure refinement using CNS
11 May 11:17 2016Liu Wei
*ensemble calculation with PREs
11 May 16:37 2016Charles Schwieters
**ensemble calculation with PREs
7 May 15:52 2016Leonidas
*scaling of RDCs
7 May 16:16 2016Charles Schwieters
**scaling of RDCs
5 May 18:09 2016Leonidas
*refine crystal structure with RDCs only
5 May 19:40 2016Charles Schwieters
**refine crystal structure with RDCs only
6 May 11:47 2016Leonidas
***refine crystal structure with RDCs only
6 May 17:49 2016Charles Schwieters
****refine crystal structure with RDCs only
17 Mar 15:45 2016Justin Douglas
*Generate Extended Peptide Structure
17 Mar 20:41 2016Bermejo, Guillermo (NIH/CIT) [
**Generate Extended Peptide Structure
18 Mar 17:24 2016Justin Douglas
***Generate Extended Peptide Structure
18 Mar 17:59 2016Bermejo, Guillermo (NIH/CIT) [
****Generate Extended Peptide Structure
15 Mar 21:25 2016Pascal, Steven M.
*time averaged NOE
16 Mar 14:25 2016Charles Schwieters
**time averaged NOE
17 Mar 21:35 2016Pascal, Steven M.
***time averaged NOE
17 Mar 22:11 2016Charles Schwieters
**time averaged NOE
3 Mar 17:06 2016Justin Douglas
*Forgotten Xplor-NIH Download Password for user justindo
1 Feb 16:51 2016Kushol Gupta
*ACA 2016 SAS Workshop
2 Apr 14:09 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