xplor-nih  

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• 2013/06/27 Re: [Xplor-nih] Back-calculate chemical shift anisotropy Charles Schwieters
• 2013/06/27 Re: [Xplor-nih] Back-calculate chemical shift anisotropy DAI, JIAN
• 2013/06/26 Re: [Xplor-nih] Back-calculate chemical shift anisotropy Charles Schwieters
• 2013/06/26 Re: [Xplor-nih] Back-calculate chemical shift anisotropy DAI, JIAN
• 2013/06/25 Re: [Xplor-nih] Back-calculate chemical shift anisotropy Charles Schwieters
• 2013/06/25 [Xplor-nih] Back-calculate chemical shift anisotropy DAI, JIAN
• 2013/06/20 Re: [Xplor-nih] How to turn on the violation stats for xplorpot Charles Schwieters
• 2013/06/20 [Xplor-nih] How to turn on the violation stats for xplorpot DAI, JIAN
• 2013/06/11 Re: [Xplor-nih] python potentials signatures and simulations Charles Schwieters
• 2013/06/11 [Xplor-nih] python potentials signatures and simulations Gary Thompson
• 2013/06/10 Re: [Xplor-nih] cross compiling xplor to another python version Charles Schwieters
• 2013/06/10 Re: [Xplor-nih] problems with swig files Charles Schwieters
• 2013/06/10 [Xplor-nih] cross compiling xplor to another python version Gary Thompson
• 2013/06/10 [Xplor-nih] problems with swig files Gary Thompson
• 2013/06/06 Re: [Xplor-nih] Modeling a loop, without breaking bonds Charles Schwieters
• 2013/06/06 Re: [Xplor-nih] Modeling a loop, without breaking bonds Katherine Edmonds
• 2013/06/06 Re: [Xplor-nih] Modeling a loop, without breaking bonds Katherine Edmonds
• 2013/06/05 Re: [Xplor-nih] Modeling a loop, without breaking bonds Charles Schwieters
• 2013/06/05 [Xplor-nih] Modeling a loop, without breaking bonds Katherine Edmonds
• 2013/06/04 Re: [Xplor-nih] PRE homodimer complex Charles Schwieters
• 2013/06/04 [Xplor-nih] PRE homodimer complex Fernando Correa
• 2013/05/29 Re: [Xplor-nih] Thioether linkage/lanthionine Charles Schwieters
• 2013/05/29 [Xplor-nih] Thioether linkage/lanthionine Earl, Christopher
• 2013/05/29 [Xplor-nih] Thioester linkage/lanthionine Earl, Christopher
• 2013/05/21 Re: [Xplor-nih] Deviations from idealized geometry Charles Schwieters
• 2013/05/20 [Xplor-nih] Deviations from idealized geometry wangtian780
• 2013/05/13 Re: [Xplor-nih] barrier: error reading from process 1 .. Error during ensemble refinement Charles Schwieters
• 2013/05/13 [Xplor-nih] barrier: error reading from process 1 .. Error during ensemble refinement santhu kumar
• 2013/05/13 Re: [Xplor-nih] exporting DIHE from water refinement script Charles Schwieters
• 2013/05/13 [Xplor-nih] exporting DIHE from water refinement script Marie-Laurence Tremblay
• 2013/05/11 Re: [Xplor-nih] Multiple RDC datasets Charles Schwieters
• 2013/05/11 Re: [Xplor-nih] Multiple RDC datasets santhu kumar
• 2013/05/11 Re: [Xplor-nih] Multiple RDC datasets Charles Schwieters
• 2013/05/10 [Xplor-nih] Multiple RDC datasets santhu kumar
• 2013/05/08 Re: [Xplor-nih] running structure calcs with nonstandard amino acids: STRUcture-ERR Charles Schwieters
• 2013/05/08 [Xplor-nih] running structure calcs with nonstandard amino acids: STRUcture-ERR Alisha Nicole Jones
• 2013/04/30 Re: [Xplor-nih] Initial Da and Rh value - sensitive? Charles Schwieters
• 2013/04/30 [Xplor-nih] Initial Da and Rh value - sensitive? santhu kumar
• 2013/04/25 Re: [Xplor-nih] angle restraints Charles Schwieters
• 2013/04/25 Re: [Xplor-nih] angle restraints Jakob Toudahl Nielsen
• 2013/04/25 Re: [Xplor-nih] angle restraints Charles Schwieters
• 2013/04/25 [Xplor-nih] angle restraints Jakob Toudahl Nielsen
• 2013/04/25 Re: [Xplor-nih] Patching 2 Zn atoms Carl Diehl
• 2013/04/23 Re: [Xplor-nih] Patching 2 Zn atoms Charles Schwieters
• 2013/04/23 [Xplor-nih] Patching 2 Zn atoms Carl Diehl
• 2013/04/05 Re: [Xplor-nih] Exporting HBond violations Charles Schwieters
• 2013/04/05 [Xplor-nih] Exporting HBond violations Marie-Laurence Tremblay
• 2013/04/05 Re: [Xplor-nih] TEMPO Library Charles Schwieters
• 2013/04/05 [Xplor-nih] TEMPO Library Leah Randles
• 2013/04/02 Re: [Xplor-nih] Xplor-nih Digest, Vol 120, Issue 2 Charles Schwieters
• 2013/04/02 Re: [Xplor-nih] Xplor-nih Digest, Vol 120, Issue 2 pothula purushotham reddy
• 2013/04/01 Re: [Xplor-nih] XPLOR problem Charles Schwieters
• 2013/04/01 [Xplor-nih] XPLOR problem Allison Didychuk
• 2013/04/01 [Xplor-nih] XPLOR problem Allison Didychuk
• 2013/04/01 Re: [Xplor-nih] adding cis Proline in water refinment Richard Harris
• 2013/04/01 Re: [Xplor-nih] adding cis Proline in water refinment Charles Schwieters
• 2013/04/01 [Xplor-nih] adding cis Proline in water refinment Richard Harris
• 2013/03/19 Re: [Xplor-nih] AT_Build::buildNode: cycle link Charles Schwieters
• 2013/03/18 Re: [Xplor-nih] Proton stereochemistry Charles Schwieters
• 2013/03/14 Re: [Xplor-nih] rigid body dynamics error: inconsistent qs Charles Schwieters
• 2013/03/14 [Xplor-nih] rigid body dynamics error: inconsistent qs Jia-Ying Guan
• 2013/03/13 [Xplor-nih] (no subject) Judicael Fazavana
• 2013/02/25 Re: [Xplor-nih] Planarity distortion in water refinement Charles Schwieters
• 2013/02/22 [Xplor-nih] Planarity distortion in water refinement V . V .
• 2013/02/22 Re: [Xplor-nih] Multiproton potential term Charles Schwieters
• 2013/02/22 [Xplor-nih] Multiproton potential term apolk
• 2013/01/16 Re: [Xplor-nih] water and electrostatics in refinement charles
• 2013/01/16 [Xplor-nih] water and electrostatics in refinement Gary Thompson
• 2013/01/15 Re: [Xplor-nih] availability of solvent accessibility potential Charles Schwieters
• 2013/01/15 [Xplor-nih] availability of solvent accessibility potential Gary Thompson
• 2013/01/03 Re: [Xplor-nih] nmr and cry-EM Charles Schwieters
• 2013/01/03 Re: [Xplor-nih] "Constraints interaction" selections Charles Schwieters
• 2013/01/03 [Xplor-nih] nmr and cry-EM Jakob Toudahl Nielsen
• 2013/01/02 [Xplor-nih] "Constraints interaction" selections V . V .
• 2012/11/08 Re: [Xplor-nih] (no subject) Charles Schwieters
• 2012/10/26 Re: [Xplor-nih] transformed pdb in the alignment frame Charles Schwieters
• 2012/10/26 [Xplor-nih] transformed pdb in the alignment frame helene.demene
• 2012/10/11 Re: [Xplor-nih] Ensemble refinement with PRE data by "newRefine.py" Charles Schwieters
• 2012/10/11 [Xplor-nih] Ensemble refinement with PRE data by "newRefine.py" Yujie Wu
• 2012/09/04 Re: [Xplor-nih] refinement for dna (G-quadruplex) Charles Schwieters
• 2012/09/02 [Xplor-nih] refinement for dna (G-quadruplex) LIU Changdong
• 2012/09/01 [Xplor-nih] test Charles Schwieters
• 2012/08/24 [Xplor-nih] dynamics internal statement for a homodimer Thomas Pochapsky
• 2012/07/20 Re: [Xplor-nih] targetRMSD Charles Schwieters
• 2012/07/20 Re: [Xplor-nih] targetRMSD Constantine, Keith
• 2012/07/20 [Xplor-nih] targetRMSD Daniel Fox
• 2012/07/13 Re: [Xplor-nih] psf generation for at cyclic peptide Charles Schwieters
• 2012/07/13 [Xplor-nih] psf generation for at cyclic peptide Jakob Toudahl Nielsen
• 2012/06/26 Re: [Xplor-nih] Factors that determine the tilt angle of a peptide Charles Schwieters
• 2012/06/26 Re: [Xplor-nih] Factors that determine the tilt angle of a peptide DAI, JIAN
• 2012/06/25 Re: [Xplor-nih] Factors that determine the tilt angle of a peptide Charles Schwieters
• 2012/06/23 [Xplor-nih] Factors that determine the tilt angle of a peptide DAI, JIAN
• 2012/06/23 Re: [Xplor-nih] xplor problem after Mac update Charles Schwieters
• 2012/06/22 Re: [Xplor-nih] xplor problem after Mac update Charles Schwieters
• 2012/06/22 [Xplor-nih] xplor problem after Mac update Wen Chen
• 2012/06/22 Re: [Xplor-nih] How do you make Xplor recognize molecules that are not Proteins, DNA, RNA, or Water? Charles Schwieters
• 2012/06/22 [Xplor-nih] How do you make Xplor recognize molecules that are not Proteins, DNA, RNA, or Water? Ali Khan
• 2012/06/19 [Xplor-nih] Protein in micelle simulated annealing Ali Khan
• 2012/06/14 [Xplor-nih] Adding DPC detergent Ali Khan
• 2012/04/16 Re: [Xplor-nih] Duplicate restraint question Charles Schwieters
• 2012/04/15 [Xplor-nih] Duplicate restraint question David Langelaan
• 2012/04/05 [Xplor-nih] dealing with flexible residues in RDC refinement Dr. Tatyana I. Igumenova
• 2012/04/03 Re: [Xplor-nih] Symmetry and NCS Potentials in Ensemble Calculations Marcel Jurk
• 2012/03/29 Re: [Xplor-nih] Hello, Charles Schwieters
• 2012/03/29 [Xplor-nih] Hello, Marcel Jurk
• 2012/03/26 Re: [Xplor-nih] conversions Charles Schwieters
• 2012/03/26 [Xplor-nih] conversions Mehdi Talebzadeh Farooji
• 2012/03/22 Re: [Xplor-nih] SARDC-Potiential for Dimeric Protein Charles Schwieters
• 2012/03/22 [Xplor-nih] SARDC-Potiential for Dimeric Protein Marcel Jurk
• 2012/03/22 Re: [Xplor-nih] help with Xplor-NIH Charles Schwieters
• 2012/03/22 [Xplor-nih] help with Xplor-NIH omri morag
• 2012/03/19 Re: [Xplor-nih] Reading PDB file Charles Schwieters
• 2012/03/19 [Xplor-nih] Reading PDB file Mehdi Talebzadeh Farooji
• 2012/03/08 Re: [Xplor-nih] docking with multiple restraints Charles Schwieters
• 2012/03/08 [Xplor-nih] docking with multiple restraints S.P. Skinner
• 2012/03/05 Re: [Xplor-nih] "AND" logic in distance restraints V . V .
• 2012/03/04 Re: [Xplor-nih] Xeasy to xplor format Mehdi Talebzadeh Farooji
• 2012/03/03 Re: [Xplor-nih] Xeasy to xplor format Charles Schwieters
• 2012/03/03 Re: [Xplor-nih] "AND" logic in distance restraints Charles Schwieters
• 2012/03/02 [Xplor-nih] "AND" logic in distance restraints Vitaly Vostrikov
• 2012/03/02 Re: [Xplor-nih] Xeasy to xplor format Mehdi Talebzadeh Farooji
• 2012/03/02 Re: [Xplor-nih] Xeasy to xplor format Mehdi Talebzadeh Farooji
• 2012/03/02 Re: [Xplor-nih] Xeasy to xplor format Charles Schwieters
• 2012/03/02 Re: [Xplor-nih] Xeasy to xplor format Mehdi Talebzadeh Farooji
• 2012/03/02 Re: [Xplor-nih] file generation for PRE docking with more than 6 spin labels Charles Schwieters
• 2012/03/02 [Xplor-nih] file generation for PRE docking with more than 6 spin labels S.P. Skinner
• 2012/03/01 Re: [Xplor-nih] Xeasy to xplor format Charles Schwieters
• 2012/02/29 Re: [Xplor-nih] Xeasy to xplor format Mehdi Talebzadeh Farooji
• 2012/02/28 Re: [Xplor-nih] Xeasy to xplor format Charles Schwieters
• 2012/02/28 [Xplor-nih] Xeasy to xplor format Mehdi Talebzadeh Farooji
• 2012/02/28 Re: [Xplor-nih] (no subject) Charles Schwieters
• 2012/02/28 [Xplor-nih] (no subject) Mehdi Talebzadeh Farooji
• 2012/02/08 Re: [Xplor-nih] writing potentials Charles Schwieters
• 2012/02/08 [Xplor-nih] writing potentials gary thompson
• 2012/01/24 Re: [Xplor-nih] how can I modify cysteines in my peptide pdb with IAP nitroxide spin label Charles Schwieters
• 2012/01/24 [Xplor-nih] how can I modify cysteines in my peptide pdb with IAP nitroxide spin label Anna Kuznetsova
• 2012/01/13 [Xplor-nih] Problem with NH RDCs in orienting multi-domain protein Sai Chaitanya Chiliveri
• 2011/12/30 Re: [Xplor-nih] Generate unstructured protein terminus Charles Schwieters
• 2011/12/29 [Xplor-nih] Generate unstructured protein terminus Yi Zhang
• 2011/12/26 [Xplor-nih] segmentation fault sunilkumar tewary
• 2011/11/17 Re: [Xplor-nih] refinement against an ensemble Charles Schwieters
• 2011/11/17 [Xplor-nih] refinement against an ensemble Diego Esposito
• 2011/11/12 Re: [Xplor-nih] Allowing higher errors for some residues in RDC refinement Mikaela Stewart
• 2011/11/10 Re: [Xplor-nih] Allowing higher errors for some residues in RDC refinement Charles Schwieters
• 2011/11/10 [Xplor-nih] Allowing higher errors for some residues in RDC refinement Mikaela Stewart
• 2011/11/03 Re: [Xplor-nih] Pseudoatom in aromatic ring Kaare Teilum
• 2011/11/02 Re: [Xplor-nih] Pseudoatom in aromatic ring Charles Schwieters
• 2011/11/02 Re: [Xplor-nih] Pseudoatom in aromatic ring Charles Schwieters
• 2011/11/02 Re: [Xplor-nih] Pseudoatom in aromatic ring Constantine, Keith
• 2011/11/02 Re: [Xplor-nih] Pseudoatom in aromatic ring Kaare Teilum
• 2011/11/02 Re: [Xplor-nih] Pseudoatom in aromatic ring Charles Schwieters
• 2011/11/02 Re: [Xplor-nih] Pseudoatom in aromatic ring Constantine, Keith
• 2011/11/02 Re: [Xplor-nih] Pseudoatom in aromatic ring Kaare Teilum
• 2011/11/02 [Xplor-nih] Pseudoatom in aromatic ring Kaare Teilum
• 2011/11/02 [Xplor-nih] NMR grid computing; WeNMR user survey Jurgen F. Doreleijers
• 2011/10/28 Re: [Xplor-nih] i5 core parallel ? Jurgen F. Doreleijers
• 2011/10/28 Re: [Xplor-nih] i5 core parallel ? Charles Schwieters
• 2011/10/28 [Xplor-nih] i5 core parallel ? Jurgen F. Doreleijers
• 2011/10/26 Re: [Xplor-nih] Shake and nconstraints. Charles Schwieters
• 2011/10/26 [Xplor-nih] Shake and nconstraints. Tanya Zaliznyak
• 2011/10/06 Re: [Xplor-nih] collapse term Charles Schwieters
• 2011/10/06 [Xplor-nih] collapse term S.P. Skinner
• 2011/09/14 Re: [Xplor-nih] Creating a psf from a pdb using psfGen Charles Schwieters
• 2011/09/14 [Xplor-nih] Creating a psf from a pdb using psfGen S.P. Skinner
• 2011/09/13 Re: [Xplor-nih] Xplor-nih Digest, Vol 103, Issue 4 Andre Dallmann
• 2011/09/13 Re: [Xplor-nih] using chromophore residues from toph19.chromo to generate psf Jakob Toudahl Nielsen
• 2011/09/13 [Xplor-nih] using chromophore residues from toph19.chromo to generate psf Jakob Toudahl Nielsen
• 2011/09/06 Re: [Xplor-nih] (no subject) Charles Schwieters
• 2011/09/05 [Xplor-nih] (no subject) helene.demene
• 2011/09/02 [Xplor-nih] Problem running XPLOR Yang, Thao
• 2011/09/02 Re: [Xplor-nih] role of gyromagnetic ratio signs in RDC refinement carlo pavan
• 2011/08/25 Re: [Xplor-nih] role of gyromagnetic ratio signs in RDC refinement Charles
• 2011/08/25 [Xplor-nih] role of gyromagnetic ratio signs in RDC refinement carlo pavan
• 2011/08/16 Re: [Xplor-nih] xplor-NIH installation with MacOS X 10.7 Charles
• 2011/08/16 [Xplor-nih] xplor-NIH installation with MacOS X 10.7 Nathan Wright
• 2011/07/12 Re: [Xplor-nih] rigid body minimization et annealing Charles Schwieters
• 2011/07/12 [Xplor-nih] rigid body minimization et annealing helene.demene
• 2011/07/08 Re: [Xplor-nih] loop through a family of starting structures in refine.py Charles Schwieters
• 2011/07/08 [Xplor-nih] loop through a family of starting structures in refine.py Maria Pechlaner
• 2011/06/30 Re: [Xplor-nih] problems with RDC refinement with fixed amplitude? Charles Schwieters
• 2011/06/30 [Xplor-nih] problems with RDC refinement with fixed amplitude? helene.demene
• 2011/06/27 Re: [Xplor-nih] MTSL labeling on membrane protein using xplor Charles Schwieters
• 2011/06/24 [Xplor-nih] MTSL labeling on membrane protein using xplor Sahu, Indra Dev Dr.
• 2011/06/14 Re: [Xplor-nih] xplor helix over-prediction Charles Schwieters
• 2011/06/14 [Xplor-nih] xplor helix over-prediction Julia Barette
• 2011/06/08 [Xplor-nih] refinement without rdc script Anna Kuznetsova
• 2011/05/20 Re: [Xplor-nih] running anneal_nordc.py script in gb1_simple folder of Xplor-nih-tutorial-2009 Charles Schwieters
• 2011/05/20 [Xplor-nih] running anneal_nordc.py script in gb1_simple folder of Xplor-nih-tutorial-2009 Anna Kuznetsova
• 2011/05/17 Re: [Xplor-nih] Xplor-nih Digest, Vol 99, Issue 3 Lei Shi
• 2011/05/16 [Xplor-nih] LJ-electrostatics in DNA python script DeRose, Eugene (NIH/NIEHS) [C]
• 2011/05/13 Re: [Xplor-nih] RDC analysis Charles Schwieters
• 2011/05/12 [Xplor-nih] RDC analysis cmoody
• 2011/04/13 [Xplor-nih] rdc/saxs docking David A. Horita
• 2011/04/08 Re: [Xplor-nih] Does xplor have the capability of doing time averaging by using a time constant rather than an ensemble? Charles
• 2011/04/08 [Xplor-nih] Does xplor have the capability of doing time averaging by using a time constant rather than an ensemble? Arthur Roberts
• 2011/04/05 Re: [Xplor-nih] Swapping of Prochirals in Xplor-NIH? Charles
• 2011/04/05 [Xplor-nih] Swapping of Prochirals in Xplor-NIH? David Yadin
• 2011/03/28 Re: [Xplor-nih] PSF file and cis Pro residue Charles
• 2011/03/22 Re: [Xplor-nih] Multiple RDCs in Xplor Charles
• 2011/03/22 [Xplor-nih] Multiple RDCs in Xplor Sai Chaitanya

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