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• • [Xplor-nih] Minor population for PRE calculations [email protected]
• [Xplor-nih] Marvin shift table format Chris Warner
  • [Xplor-nih] Marvin shift table format [email protected]
• [Xplor-nih] Energy minimization of crystal structures Valerie A. Villareal
  • [Xplor-nih] Energy minimization of crystal structures [email protected]
• [Xplor-nih] position restraints Xiaogang Niu
  • [Xplor-nih] position restraints [email protected]
  • [Xplor-nih] position restraints Xiaogang Niu
  • [Xplor-nih] position restraints [email protected]
• [Xplor-nih] Xplor-nih Digest, Vol 77, Issue 19 Martin Stoermer
  • [Xplor-nih] Xplor-nih Digest, Vol 77, Issue 19 [email protected]
  • [Xplor-nih] Xplor-nih Digest, Vol 77, Issue 19 [email protected]
• [Xplor-nih] Small Molecules Script Misbah Ghafoor
  • [Xplor-nih] Small Molecules Script [email protected]
• [Xplor-nih] Water Usman Rasul
  • [Xplor-nih] Water [email protected]
  • [Xplor-nih] Water Usman Rasul
  • [Xplor-nih] Water [email protected]
• [Xplor-nih] Refinement with limited constraints Andrew Butterworth
  • [Xplor-nih] Refinement with limited constraints [email protected]
  • [Xplor-nih] Refinement with limited constraints Andrew Butterworth
  • [Xplor-nih] Refinement with limited constraints [email protected]
• [Xplor-nih] Powell::step: irregular exit: Line search abandoned Edward Petri
  • [Xplor-nih] Powell::step: irregular exit: Line search abandoned [email protected]
• [Xplor-nih] Two questions about Xplor Xu, Lizhe
  • [Xplor-nih] Two questions about Xplor [email protected]
• [Xplor-nih] Modelling interactions in XPlor Sadia Mohammed
  • [Xplor-nih] Modelling interactions in XPlor [email protected]
• [Xplor-nih] ROE distance restraint Calibration (binning) Chen, Sam
  • [Xplor-nih] ROE distance restraint Calibration (binning) [email protected]
• [Xplor-nih] combine structured and unstructured protein stretches with python Raik Gruenberg
  • [Xplor-nih] combine structured and unstructured protein stretches with python [email protected]
  • [Xplor-nih] combine structured and unstructured protein stretches with python Raik Gruenberg
  • [Xplor-nih] combine structured and unstructured protein stretches with python [email protected]
  • [Xplor-nih] combine structured and unstructured protein stretches with python Raik Gruenberg
  • [Xplor-nih] combine structured and unstructured protein stretches with python [email protected]
  • [Xplor-nih] combine structured and unstructured protein stretches with python Raik Gruenberg
  • [Xplor-nih] combine structured and unstructured protein stretches with python [email protected]
  • [Xplor-nih] combine structured and unstructured protein stretches with python Raik Gruenberg
  • [Xplor-nih] combine structured and unstructured protein stretches with python Raik Gruenberg
  • [Xplor-nih] combine structured and unstructured protein stretches with python [email protected]
  • [Xplor-nih] combine structured and unstructured protein stretches with python Raik Gruenberg
  • [Xplor-nih] combine structured and unstructured protein stretches with python [email protected]
  • [Xplor-nih] combine structured and unstructured protein stretches with python [email protected]
• [Xplor-nih] PRE value errors and script questions Valerie A. Villareal
  • [Xplor-nih] PRE value errors and script questions [email protected]
• [Xplor-nih] Symmetrical Molecules Misbah Ghafoor
  • [Xplor-nih] Symmetrical Molecules [email protected]
• [Xplor-nih] SAXS Mueller, Geoffrey (NIH/NIEHS) [E]
  • [Xplor-nih] SAXS [email protected]
• [Xplor-nih] marvin and dimers Gary Thompson
  • [Xplor-nih] marvin and dimers [email protected]
• [Xplor-nih] Pseudocontact shifts and the python interface Mitchell Stanton-Cook
  • [Xplor-nih] Pseudocontact shifts and the python interface [email protected]
• [Xplor-nih] Pseudocontact shifts using python interface Mitchell Stanton-Cook
• [Xplor-nih] documentation for protocol.fixupCovalentGeom() RMB Hoffman
  • [Xplor-nih] documentation for protocol.fixupCovalentGeom() [email protected]
• [Xplor-nih] Marvin Tutorial refine.py failure Chris Warner
  • [Xplor-nih] Marvin Tutorial refine.py failure [email protected]
  • [Xplor-nih] Marvin Tutorial refine.py failure John Kuszewski
  • [Xplor-nih] Marvin Tutorial refine.py failure Chris Warner
  • [Xplor-nih] Marvin Tutorial refine.py failure [email protected]
• [Xplor-nih] straight hydrogen bonds Martin Allan
  • [Xplor-nih] straight hydrogen bonds [email protected]
  • [Xplor-nih] XPLOR-NIH 2.23 slower than 2.16? Martin Allan
  • [Xplor-nih] XPLOR-NIH 2.23 slower than 2.16? [email protected]
  • [Xplor-nih] XPLOR-NIH 2.23 slower than 2.16? Martin Allan
  • [Xplor-nih] XPLOR-NIH 2.23 slower than 2.16? [email protected]
• [Xplor-nih] Using chemical shift perturbation as ambiguous restraints Olivier Serve
  • [Xplor-nih] Using chemical shift perturbation as ambiguous restraints [email protected]
• [Xplor-nih] problems with the chirality in DNA structure calculations Massimiliano Tittarelli
  • [Xplor-nih] problems with the chirality in DNA structure calculations [email protected]
• [Xplor-nih] questions about PosDiffPot Xiaogang Niu
• [Xplor-nih] questions about create_PosDiffPot Xiaogang Niu
  • [Xplor-nih] questions about create_PosDiffPot [email protected]
  • [Xplor-nih] questions about create_PosDiffPot [email protected]
  • [Xplor-nih] questions about create_PosDiffPot Xiaogang Niu
• [Xplor-nih] testDist fail Chris Warner
  • [Xplor-nih] testDist fail [email protected]
  • [Xplor-nih] testDist fail [email protected]
• [Xplor-nih] [email protected]: Re: Zn ligands in XPLOR-NIH [email protected]
• [Xplor-nih] Zn ligands in XPLOR-NIH [email protected]
• [Xplor-nih] Xplor-nih Digest, Vol 75, Issue 4 Steve Alam
• [Xplor-nih] problem with SAXS potential [email protected]
  • [Xplor-nih] problem with SAXS potential [email protected]
• [Xplor-nih] Structure calculation with two-step low temperature simulated annealing [email protected]
  • [Xplor-nih] Structure calculation with two-step low temperature simulated annealing [email protected]
  • [Xplor-nih] Structure calculation with two-step low temperature simulated annealing John Kuszewski
• [Xplor-nih] Protein collision with PRE data Valerie A. Villareal
  • [Xplor-nih] Protein collision with PRE data [email protected]
• [Xplor-nih] Size problem with XPLOR-NIH [email protected]
• [Xplor-nih] Fwd: stochastic boundaries [email protected]
• [Xplor-nih] re; CYS-MTS-EDTA coordinates D KRISHNARAO
  • [Xplor-nih] re; CYS-MTS-EDTA coordinates [email protected]
• [Xplor-nih] Protein-protein complex with PRE Valerie A. Villareal
  • [Xplor-nih] Protein-protein complex with PRE [email protected]
• [Xplor-nih] SAXS refinement question Sabine Akabayov
  • [Xplor-nih] SAXS refinement question [email protected]
  • [Xplor-nih] SAXS refinement question Sabine Akabayov
  • [Xplor-nih] SAXS refinement question [email protected]
  • [Xplor-nih] SAXS refinement question Sabine Akabayov
  • [Xplor-nih] SAXS refinement question [email protected]
• [Xplor-nih] angle definition2 James
• [Xplor-nih] angle definition James
  • [Xplor-nih] angle definition [email protected]
• [Xplor-nih] Problem with 3Jhnha calculation Juranic, Nenad O., Ph.D.
  • [Xplor-nih] Problem with 3Jhnha calculation [email protected]
• [Xplor-nih] Problem with 3Jhnha calculations Juranic, Nenad O., Ph.D.
• [Xplor-nih] Debugging NOE file reading process Jinwon Jung
  • [Xplor-nih] Debugging NOE file reading process [email protected]
• [Xplor-nih] Xplor-nih 2.9.2 compilation errors saio
  • [Xplor-nih] Xplor-nih 2.9.2 compilation errors [email protected]
• [Xplor-nih] PREPot error or python error? Valerie A. Villareal
  • [Xplor-nih] PREPot error or python error? [email protected]
• [Xplor-nih] RDC refinement of xtal structure John Vakonakis
  • [Xplor-nih] RDC refinement of xtal structure John Vakonakis
• [Xplor-nih] DANI Mueller, Geoffrey (NIH/NIEHS) [E]
  • [Xplor-nih] DANI [email protected]
• [Xplor-nih] parallel processing bus error on a mac [email protected]
  • [Xplor-nih] parallel processing bus error on a mac [email protected]
• [Xplor-nih] setting fixDa/fixRh for specific data sets David A. Horita
  • [Xplor-nih] setting fixDa/fixRh for specific data sets [email protected]
• [Xplor-nih] OS X bug in tcl/noe_reporting.tcl Ben Eisenbraun
  • [Xplor-nih] OS X bug in tcl/noe_reporting.tcl [email protected]
• [Xplor-nih] Announcing NMR validation web interface iCing Jurgen F. Doreleijers
• [Xplor-nih] Rosetta Academic Training Webinar Nir London
• [Xplor-nih] Adding CYS and MTSL to PDB Valerie A. Villareal
  • [Xplor-nih] Adding CYS and MTSL to PDB [email protected]
  • [Xplor-nih] Adding CYS and MTSL to PDB Valerie A. Villareal
  • [Xplor-nih] Adding CYS and MTSL to PDB [email protected]
• [Xplor-nih] topology files of modified amino acids [email protected]
• [Xplor-nih] Ensemble calculation without experimental restraints Jie-rong Huang
  • [Xplor-nih] Ensemble calculation without experimental restraints [email protected]
  • [Xplor-nih] Ensemble calculation without experimental restraints Jie-rong Huang
  • [Xplor-nih] Ensemble calculation without experimental restraints [email protected]
  • [Xplor-nih] Ensemble calculation without experimental restraints Jie-rong Huang
  • [Xplor-nih] Ensemble calculation without experimental restraints [email protected]
• [Xplor-nih] refinement after manual dock of protein-RNA complex Jinzhong Lin
  • [Xplor-nih] refinement after manual dock of protein-RNA complex [email protected]
• [Xplor-nih] beginners examples Miguel Fernández Oliva
• [Xplor-nih] generate PSF from incomplete PDB Andrea Berry
  • [Xplor-nih] generate PSF from incomplete PDB Pooja Jain
• [Xplor-nih] energy minimization and planeDist Jeff Ellena
  • [Xplor-nih] energy minimization and planeDist [email protected]
• [Xplor-nih] using aveStruct.py with MTSL Jeff Ellena
  • [Xplor-nih] using aveStruct.py with MTSL [email protected]
• [Xplor-nih] force constants David A. Horita
  • [Xplor-nih] force constants [email protected]
  • [Xplor-nih] force constants [email protected]
• [Xplor-nih] Rosetta Academic Training Workshop Nir London
• [Xplor-nih] installation problem Spitaleri Andrea
  • [Xplor-nih] installation problem [email protected]
• [Xplor-nih] about noe display in vmd-xplor [email protected]
  • [Xplor-nih] about noe display in vmd-xplor [email protected]
• [Xplor-nih] Group and Fix Andrew Severin
• [Xplor-nih] Xplor-nih Digest, Vol 71, Issue 3 [email protected]
• [Xplor-nih] noe calc: unit? Spitaleri Andrea
  • [Xplor-nih] noe calc: unit? [email protected]
  • [Xplor-nih] noe calc: unit? andrea spitaleri
  • [Xplor-nih] noe calc: unit? [email protected]
  • [Xplor-nih] noe calc: unit? andrea spitaleri
• [Xplor-nih] Fix and group Andrew Severin
  • [Xplor-nih] Fix and group [email protected]
• [Xplor-nih] proton shift refinement David A. Horita
  • [Xplor-nih] proton shift refinement [email protected]
• [Xplor-nih] seq2psf errors Sanaz Dovell
  • [Xplor-nih] seq2psf errors [email protected]
  • [Xplor-nih] seq2psf errors [email protected]
• [Xplor-nih] modifying scale of some but not all dihedral restraints at runtime Martin Allan
  • [Xplor-nih] modifying scale of some but not all dihedral restraints at runtime [email protected]
• [Xplor-nih] querry [email protected]
• [Xplor-nih] position available [email protected]
• [Xplor-nih] proton nomenclature Duggan, Brendan M.
  • [Xplor-nih] proton nomenclature [email protected]
  • [Xplor-nih] proton nomenclature Duggan, Brendan M.
• [Xplor-nih] XPLOR NIH [email protected]
• [Xplor-nih] Different Version of Xplor Resulting In Different Simulations? [email protected]
  • [Xplor-nih] Different Version of Xplor Resulting In Different Simulations? [email protected]
  • [Xplor-nih] Different Version of Xplor Resulting In Different Simulations? [email protected]
  • [Xplor-nih] Different Version of Xplor Resulting In Different Simulations? [email protected]
• [Xplor-nih] Fwd: Multiple domain orientation Andrew Severin
  • [Xplor-nih] Fwd: Multiple domain orientation [email protected]
• [Xplor-nih] Calling ensemble for calculation Jie-rong Huang
  • [Xplor-nih] Calling ensemble for calculation [email protected]
  • [Xplor-nih] Calling ensemble for calculation Jie-rong Huang
  • [Xplor-nih] Calling ensemble for calculation [email protected]
  • [Xplor-nih] Calling ensemble for calculation Jie-rong Huang
  • [Xplor-nih] Calling ensemble for calculation [email protected]
  • [Xplor-nih] Calling ensemble for calculation [email protected]
• [Xplor-nih] patch problem - two segments? Jakob Toudahl Nielsen
  • [Xplor-nih] patch problem - two segments? [email protected]
  • [Xplor-nih] patch problem - two segments? Jakob Toudahl Nielsen
  • [Xplor-nih] patch problem - two segments? [email protected]
• [Xplor-nih] problem about noe2xplor.py Yuan Zhang
  • [Xplor-nih] problem about noe2xplor.py [email protected]
• [Xplor-nih] Imposing NCS term in Xplor for energy minimization Hao Huang
  • [Xplor-nih] Imposing NCS term in Xplor for energy minimization [email protected]
• [Xplor-nih] refine_gentle in XplorPy? Mark Girvin
  • [Xplor-nih] refine_gentle in XplorPy? [email protected]
  • [Xplor-nih] refine_gentle in XplorPy? Mark Girvin

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