11 Jun 2013 11:33Gary Thompson
*python potentials signatures and simulations
11 Jun 2013 16:06Charles Schwieters
**python potentials signatures and simulations
10 Jun 2013 12:09Gary Thompson
*cross compiling xplor to another python version
10 Jun 2013 16:01Charles Schwieters
**cross compiling xplor to another python version
10 Jun 2013 12:08Gary Thompson
*problems with swig files
10 Jun 2013 16:00Charles Schwieters
**problems with swig files
5 Jun 2013 18:36Katherine Edmonds
*Modeling a loop, without breaking bonds
6 Jun 2013 03:22Charles Schwieters
**Modeling a loop, without breaking bonds
6 Jun 2013 17:16Katherine Edmonds
***Modeling a loop, without breaking bonds
6 Jun 2013 17:42Katherine Edmonds
****Modeling a loop, without breaking bonds
6 Jun 2013 22:26Charles Schwieters
****Modeling a loop, without breaking bonds
4 Jun 2013 23:30Fernando Correa
*PRE homodimer complex
5 Jun 2013 00:00Charles Schwieters
**PRE homodimer complex
29 May 2013 19:27Earl, Christopher
*Thioether linkage/lanthionine
29 May 2013 21:36Charles Schwieters
**Thioether linkage/lanthionine
29 May 2013 18:39Earl, Christopher
*Thioester linkage/lanthionine
21 May 2013 05:42wangtian780
*Deviations from idealized geometry
21 May 2013 16:22Charles Schwieters
**Deviations from idealized geometry
13 May 2013 23:38santhu kumar
*barrier: error reading from process 1 .. Error during ensemble refinem
14 May 2013 01:52Charles Schwieters
**barrier: error reading from process 1 .. Error during ensemble refinem
13 May 2013 16:45Marie-Laurence Tremblay
*exporting DIHE from water refinement script
13 May 2013 19:02Charles Schwieters
**exporting DIHE from water refinement script
11 May 2013 00:08santhu kumar
*Multiple RDC datasets
11 May 2013 18:16Charles Schwieters
**Multiple RDC datasets
11 May 2013 18:40santhu kumar
***Multiple RDC datasets
11 May 2013 19:43Charles Schwieters
****Multiple RDC datasets
9 May 2013 00:04Alisha Nicole Jones
*running structure calcs with nonstandard amino acids: STRUcture-ERR
9 May 2013 03:04Charles Schwieters
**running structure calcs with nonstandard amino acids: STRUcture-ERR
30 Apr 2013 16:11santhu kumar
*Initial Da and Rh value - sensitive?
30 Apr 2013 16:59Charles Schwieters
**Initial Da and Rh value - sensitive?
25 Apr 2013 15:47Jakob Toudahl Nielsen
*angle restraints
25 Apr 2013 16:20Charles Schwieters
**angle restraints
25 Apr 2013 17:06Jakob Toudahl Nielsen
***angle restraints
25 Apr 2013 19:46Charles Schwieters
**angle restraints
23 Apr 2013 16:42Carl Diehl
*Patching 2 Zn atoms
23 Apr 2013 17:39Charles Schwieters
**Patching 2 Zn atoms
25 Apr 2013 10:06Carl Diehl
***Patching 2 Zn atoms
5 Apr 2013 21:03Marie-Laurence Tremblay
*Exporting HBond violations
5 Apr 2013 22:13Charles Schwieters
**Exporting HBond violations
5 Apr 2013 14:07Leah Randles
*TEMPO Library
5 Apr 2013 16:53Charles Schwieters
**TEMPO Library
2 Apr 2013 13:24pothula purushotham reddy
*Xplor-nih Digest, Vol 120, Issue 2
2 Apr 2013 18:12Charles Schwieters
**Xplor-nih Digest, Vol 120, Issue 2
1 Apr 2013 23:56Allison Didychuk
*XPLOR problem
2 Apr 2013 00:18Allison Didychuk
**XPLOR problem
2 Apr 2013 03:36Charles Schwieters
**XPLOR problem
1 Apr 2013 16:50Richard Harris
*adding cis Proline in water refinment
1 Apr 2013 17:37Charles Schwieters
**adding cis Proline in water refinment
1 Apr 2013 18:07Richard Harris
***adding cis Proline in water refinment
19 Mar 2013 13:20Marie-Laurence Tremblay
*AT_Build::buildNode: cycle link
19 Mar 2013 15:01Charles Schwieters
**AT_Build::buildNode: cycle link
18 Mar 2013 14:46Marie-Laurence Tremblay
*Proton stereochemistry
18 Mar 2013 15:41Charles Schwieters
**Proton stereochemistry
14 Mar 2013 15:28Jia-Ying Guan
*rigid body dynamics error: inconsistent qs
14 Mar 2013 18:48Charles Schwieters
**rigid body dynamics error: inconsistent qs
13 Mar 2013 21:16Judicael Fazavana
*(no subject)
23 Feb 2013 07:38V.V
*Planarity distortion in water refinement
25 Feb 2013 19:32Charles Schwieters
**Planarity distortion in water refinement
22 Feb 2013 13:57apolk
*Multiproton potential term
22 Feb 2013 19:27Charles Schwieters
**Multiproton potential term
16 Jan 2013 10:19Gary Thompson
*water and electrostatics in refinement
16 Jan 2013 15:26charles
**water and electrostatics in refinement
15 Jan 2013 18:06Gary Thompson
*availability of solvent accessibility potential
15 Jan 2013 22:04Charles Schwieters
**availability of solvent accessibility potential
3 Jan 2013 16:33Jakob Toudahl Nielsen
*nmr and cry-EM
3 Jan 2013 18:21Charles Schwieters
**nmr and cry-EM
3 Jan 2013 05:26V.V
*"Constraints interaction" selections
3 Jan 2013 17:09Charles Schwieters
**"Constraints interaction" selections
9 Nov 2012 00:51Charles Schwieters
*(no subject)
26 Oct 2012 16:29helene.demene
*transformed pdb in the alignment frame
26 Oct 2012 18:28Charles Schwieters
**transformed pdb in the alignment frame
11 Oct 2012 14:22Yujie Wu
*Ensemble refinement with PRE data by "newRefine.py"
11 Oct 2012 17:25Charles Schwieters
**Ensemble refinement with PRE data by "newRefine.py"
30 Aug 2012 16:12LIU Changdong
*refinement for dna (G-quadruplex)
4 Sep 2012 16:00Charles Schwieters
**refinement for dna (G-quadruplex)
1 Sep 2012 14:34Charles Schwieters
*test
24 Aug 2012 16:56Thomas Pochapsky
*dynamics internal statement for a homodimer
20 Jul 2012 17:46Daniel Fox
*targetRMSD
20 Jul 2012 18:12Constantine, Keith
**targetRMSD
20 Jul 2012 20:28Charles Schwieters
**targetRMSD
24 Jun 2012 06:27DAI, JIAN
*Factors that determine the tilt angle of a peptide
25 Jun 2012 17:56Charles Schwieters
**Factors that determine the tilt angle of a peptide
26 Jun 2012 19:56DAI, JIAN
***Factors that determine the tilt angle of a peptide
26 Jun 2012 23:26Charles Schwieters
**Factors that determine the tilt angle of a peptide
13 Jul 2012 10:45Jakob Toudahl Nielsen
***psf generation for at cyclic peptide
13 Jul 2012 16:25Charles Schwieters
****psf generation for at cyclic peptide
23 Jun 2012 04:12Wen Chen
*xplor problem after Mac update
23 Jun 2012 04:30Charles Schwieters
**xplor problem after Mac update
23 Jun 2012 14:41Charles Schwieters
***xplor problem after Mac update
22 Jun 2012 21:08Ali Khan
*How do you make Xplor recognize molecules that are not Proteins, DNA,
22 Jun 2012 22:06Charles Schwieters
**How do you make Xplor recognize molecules that are not Proteins, DNA,
19 Jun 2012 17:19Ali Khan
*Protein in micelle simulated annealing
14 Jun 2012 19:23Ali Khan
*Adding DPC detergent
15 Apr 2012 14:18David Langelaan
*Duplicate restraint question
16 Apr 2012 15:22Charles Schwieters
**Duplicate restraint question
5 Apr 2012 16:50Dr. Tatyana I. Igumenova
*dealing with flexible residues in RDC refinement
29 Mar 2012 15:31Marcel Jurk
*Hello,
29 Mar 2012 17:44Charles Schwieters
**Hello,
3 Apr 2012 14:23Marcel Jurk
***Symmetry and NCS Potentials in Ensemble Calculations
26 Mar 2012 19:47Mehdi Talebzadeh Farooji
*conversions