xplor-nih  

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

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