16 Oct 12:59 2014러셀
* N/C terminus additions; cyclic beta amino acids
16 Oct 20:36 2014Charles Schwieters
**N/C terminus additions; cyclic beta amino acids
15 Oct 20:19 2014santhu kumar
*R-factors and significance
29 Sep 10:20 2014Künze, Georg
*Xplor calculation with PCSs for two lanthanide positions
29 Sep 16:16 2014Charles Schwieters
**Xplor calculation with PCSs for two lanthanide positions
1 Sep 11:03 2014러셀
*N/C terminus additions; cyclic beta amino acids
2 Sep 20:29 2014Charles Schwieters
**N/C terminus additions; cyclic beta amino acids
2 Sep 20:29 2014Charles Schwieters
**N/C terminus additions; cyclic beta amino acids
29 Aug 17:11 2014DAI, JIAN
*Fix part of a protein
2 Sep 20:22 2014Charles Schwieters
**Fix part of a protein
28 Aug 15:10 2014Liu Wei
*Q factor calculation
2 Sep 20:10 2014Charles Schwieters
**Q factor calculation
13 Aug 18:56 2014Sandra Pineda Sanabria
*high energy in torsionDB
13 Aug 17:05 2014Liu Wei
*two questions about PRE ensemble calculation
13 Aug 20:09 2014Charles Schwieters
**two questions about PRE ensemble calculation
13 Aug 01:25 2014Sandra Pineda Sanabria
*high energy in torsionDB
13 Aug 04:48 2014Gabriel Cornilescu
**high energy in torsionDB
13 Aug 15:47 2014Charles Schwieters
**high energy in torsionDB
13 Aug 17:03 2014Sandra Pineda Sanabria
***high energy in torsionDB
13 Aug 17:19 2014Charles Schwieters
****high energy in torsionDB
4 Aug 04:05 2014Martin Stoermer
*Help with cyclohexylalanine Cha/CHEX
4 Aug 17:06 2014Charles Schwieters
**Help with cyclohexylalanine Cha/CHEX
30 Jul 15:12 2014santhu kumar
*Lysozyme 15N Chemical shift anisotropy
22 Jul 18:10 2014Xu Wang
*Water refinement for protein-ligand complexes
22 Jul 20:56 2014Charles Schwieters
**Water refinement for protein-ligand complexes
22 Jul 23:35 2014Gabriel Cornilescu
**Water refinement for protein-ligand complexes
23 Jul 20:00 2014Charles Schwieters
***Water refinement for protein-ligand complexes
12 Jun 16:59 2014Taylor Cole
*parameter and topology file for iodoacetamido-PROXYL
12 Jun 17:18 2014Charles Schwieters
**parameter and topology file for iodoacetamido-PROXYL
12 Jun 16:38 2014Taylor Cole
*parameter and topology file for iodoacetamido-PROXYL
2 Jun 10:34 2014Lukas Lercher
*PRE ensemble averaging
2 Jun 22:45 2014Charles Schwieters
**PRE ensemble averaging
8 May 09:21 2014qgg
*how to generate a ensemble representation using Xplor
8 May 19:18 2014Charles Schwieters
**how to generate a ensemble representation using Xplor
6 May 09:15 2014Wenbo Zhang
*input tbl files_Amber to xplor
6 May 17:14 2014Charles Schwieters
**input tbl files_Amber to xplor
26 Apr 00:22 2014V.V.
*RMSD to reference
26 Apr 02:17 2014Charles Schwieters
**RMSD to reference
28 Apr 19:16 2014V.V.
***RMSD to reference
29 Apr 01:10 2014Charles Schwieters
****RMSD to reference
15 Apr 00:58 2014Nah Sivar
*Calculating particular pairwise energy terms
15 Apr 01:27 2014Charles Schwieters
**Calculating particular pairwise energy terms
16 Apr 00:27 2014Nah Sivar
***Calculating particular pairwise energy terms
16 Apr 19:19 2014Charles Schwieters
****Calculating particular pairwise energy terms
22 Apr 12:08 2014Nah Sivar
*****Calculating particular pairwise energy terms
22 Apr 19:54 2014Charles Schwieters
******Calculating particular pairwise energy terms
9 Apr 23:06 2014Si Yan
*A question about rotamers
9 Apr 23:54 2014Bermejo, Guillermo (NIH/CIT) [
**A question about rotamers
10 Apr 00:00 2014Si Yan
***A question about rotamers
10 Apr 16:15 2014Charles Schwieters
**A question about rotamers
10 Apr 18:44 2014Si Yan
***A question about rotamers
17 Mar 10:03 2014Gary Thompson
*compiling xplor under osx mavericks
17 Mar 19:43 2014Charles Schwieters
**compiling xplor under osx mavericks
17 Mar 23:21 2014Gary Thompson
***compiling xplor under osx mavericks
18 Mar 00:09 2014Gary Thompson
****compiling xplor under osx mavericks
18 Mar 20:50 2014Charles Schwieters
*****compiling xplor under osx mavericks
19 Mar 20:42 2014Gary Thompson
******compiling xplor under osx mavericks
6 Mar 23:26 2014mrs1988@mail.ustc.edu.cn
*pdb2psf problem
7 Mar 17:17 2014Charles Schwieters
**pdb2psf problem
27 Feb 23:37 2014Gary Thompson
*problems compiling xplor
28 Feb 16:06 2014Charles Schwieters
**problems compiling xplor
28 Feb 18:18 2014Charles Schwieters
**problems compiling xplor
19 Feb 16:17 2014Charles Schwieters
*OSX10.9 was: error message for output files
7 Feb 22:26 2014Charles Schwieters
*xplor-nih parallel issue
7 Feb 21:57 2014Charles Schwieters
*xplor-nih parallel issue
27 Nov 21:45 2013santhu kumar
*Error modelling in RDC's
2 Dec 19:22 2013santhu kumar
**Error modelling in RDC's
2 Dec 22:33 2013Charles Schwieters
***Error modelling in RDC's
3 Dec 05:18 2013santhu kumar
****Error modelling in RDC's
3 Dec 17:39 2013Charles Schwieters
*****Error modelling in RDC's
27 Nov 10:42 2013helene.demene
*equalling two rdc tensors
27 Nov 15:59 2013Charles Schwieters
**equalling two rdc tensors
14 Nov 03:18 2013santhu kumar
*Residue wise R-factors
14 Nov 05:01 2013Gabriel Cornilescu
**Residue wise R-factors
14 Nov 17:00 2013Charles Schwieters
**Residue wise R-factors
14 Nov 17:36 2013santhu kumar
***Residue wise R-factors
14 Nov 18:07 2013Gabriel Cornilescu
****Residue wise R-factors
14 Nov 20:08 2013Charles Schwieters
*****Residue wise R-factors
24 Oct 14:15 2013Carl Diehl
*Docking structures using RDCs
24 Oct 15:02 2013Constantine, Keith
**Docking structures using RDCs
24 Oct 17:53 2013Charles Schwieters
**Docking structures using RDCs
18 Oct 15:22 2013Constantine, Keith
*changing van der Waals radius without modifying an atom type
18 Oct 16:24 2013Charles Schwieters
**changing van der Waals radius without modifying an atom type
18 Oct 19:00 2013Constantine, Keith
***changing van der Waals radius without modifying an atom type
18 Oct 20:03 2013Charles Schwieters
****changing van der Waals radius without modifying an atom type
21 Oct 14:36 2013Constantine, Keith
*****changing van der Waals radius without modifying an atom type
21 Oct 21:44 2013Charles Schwieters
******changing van der Waals radius without modifying an atom type
21 Oct 22:28 2013Constantine, Keith
*******changing van der Waals radius without modifying an atom type
21 Oct 14:37 2013Constantine, Keith
*****changing van der Waals radius without modifying an atom type
14 Oct 23:00 2013THOMAS EDWARD SMITH
*Custom N-terminal modification
30 Sep 20:11 2013santhu kumar
*Ensemble simulation - custom potential
1 Oct 02:56 2013Charles Schwieters
**Ensemble simulation - custom potential
1 Oct 20:32 2013santhu kumar
***Ensemble simulation - custom potential
19 Sep 19:01 2013Marie-Laurence Tremblay
*Error: InternalDynamics::step: large timestep detected. Halving
19 Sep 20:03 2013Charles Schwieters
**Error: InternalDynamics::step: large timestep detected. Halving
10 Sep 01:16 2013Michael Stevens
*rigid body restraints using side chain orientations
10 Sep 18:00 2013Charles Schwieters
**rigid body restraints using side chain orientations
8 Sep 09:12 2013Hiroki Ogasa
*Ensemble refinement with fixing one of the ensemble member during the
9 Sep 16:12 2013Charles Schwieters
**Ensemble refinement with fixing one of the ensemble member during the
5 Sep 09:39 2013Gary Thompson
*Ensemble simulations and threading question