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
12 Feb 22:39 2015Xu Wang
*Fixing Da & Rh absolutely
12 Feb 22:43 2015Charles Schwieters
**Fixing Da & Rh absolutely
9 Feb 19:23 2015Yuan Yang
*Time step and force constant optimization
10 Feb 01:04 2015Charles Schwieters
**Time step and force constant optimization
30 Jan 02:39 2015santhu kumar
*Residual CSA as cross validation?
4 Feb 20:12 2015Charles Schwieters
**Residual CSA as cross validation?
28 Jan 20:33 2015Taylor Cole
*refinement with pcs
28 Jan 22:06 2015Charles Schwieters
**refinement with pcs
30 Jan 21:31 2015Taylor Cole
**refinement with pcs
31 Jan 02:49 2015Charles Schwieters
***refinement with pcs
20 Jan 06:59 2015러셀
*Ranking SA structure energies
21 Jan 16:31 2015Charles Schwieters
**Ranking SA structure energies
19 Jan 22:45 2015santhu kumar
*Is Omega changed in IVM?
20 Jan 02:29 2015Charles Schwieters
**Is Omega changed in IVM?
15 Jan 21:39 2015Blanton Tolbert
*rna_refi
15 Jan 22:23 2015Bermejo, Guillermo (NIH/CIT) [
**rna_refi
25 Dec 21:34 2014Charles Schwieters
*questions in PCSs refinement
18 Dec 16:20 2014Yanan He
*How can I generate an extended structure with phosphorylated THR?
18 Dec 17:16 2014Charles Schwieters
**How can I generate an extended structure with phosphorylated THR?
2 Dec 03:00 2014Johansson Maria
*per-residue energies?
2 Dec 17:42 2014Charles Schwieters
**per-residue energies?
6 Jan 23:04 2015Johansson Maria
***per-residue energies?
7 Jan 16:13 2015Charles Schwieters
****per-residue energies?
1 Dec 18:01 2014Charles Schwieters
*structure refinement with PCSs using python script
13 Nov 18:30 2014Shan Hsieh
*RAMA-ERR
13 Nov 18:32 2014Gabriel Cornilescu
**RAMA-ERR
13 Nov 19:37 2014Charles Schwieters
**RAMA-ERR
2 Nov 16:34 2014Mandar Deshmukh
*refine.py and increased backbone RMSD
3 Nov 19:32 2014Charles Schwieters
**refine.py and increased backbone RMSD
4 Nov 04:36 2014Mandar V. Deshmukh
***refine.py and increased backbone RMSD
5 Nov 17:00 2014Charles Schwieters
****refine.py and increased backbone RMSD
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