xplor-nih  

Messages by Thread

• How to calculate the conformational energy? Ning Zhang
  • Re: How to calculate the conformational energy? Charles Schwieters
  • Re: How to calculate the conformational energy? Ning Zhang
  • Re: How to calculate the conformational energy? Charles Schwieters
• How to define PCA Ohki Shinya
  • Re: How to define PCA Charles Schwieters
• How to read CONECT records. Kevin Sawade
  • Re: How to read CONECT records. Charles Schwieters
  • Re: How to read CONECT records. Kevin Sawade
  • Re: How to read CONECT records. Charles Schwieters
• Help required for Xplor-NIH format conversion Niladri Ranjan Das
  • Re: Help required for Xplor-NIH format conversion Lee, Woonghee
  • Re: Help required for Xplor-NIH format conversion Charles Schwieters
• waterRefine protocole Philippe Cuniasse
  • Re: waterRefine protocole Charles Schwieters
• proton chemical shifts in structure calculations Ishita Sengupta
  • Re: proton chemical shifts in structure calculations Charles Schwieters
  • Re: proton chemical shifts in structure calculations Ishita Sengupta
  • Re: proton chemical shifts in structure calculations Ishita Sengupta
  • Re: proton chemical shifts in structure calculations Charles Schwieters
• Xplor-nih homodimer Radim Novotny
  • Re: Xplor-nih homodimer Charles Schwieters
• How atom coordinates loaded by .initStruct are read by IVM object? Jun Zhang
  • Re: How atom coordinates loaded by .initStruct are read by IVM object? Charles Schwieters
• Using PCSs induced by multiple lanthanides for refinement Till Friesewinkel
  • Re: Using PCSs induced by multiple lanthanides for refinement Charles Schwieters
  • Re: Using PCSs induced by multiple lanthanides for refinement Till Friesewinkel
  • Re: Using PCSs induced by multiple lanthanides for refinement Charles Schwieters
  • Re: Using PCSs induced by multiple lanthanides for refinement Till Friesewinkel
  • Re: Using PCSs induced by multiple lanthanides for refinement Charles Schwieters
  • Re: Using PCSs induced by multiple lanthanides for refinement Till Friesewinkel
  • Re: Using PCSs induced by multiple lanthanides for refinement Charles Schwieters
  • Re: Using PCSs induced by multiple lanthanides for refinement Charles Schwieters
• PCS refinement input specifications Till Friesewinkel
• Orientation Tensor Pseudoatom Placement in Xplor NIH Jamshidi, Cameron
  • Re: Orientation Tensor Pseudoatom Placement in Xplor NIH Charles Schwieters
• Scripts for EPR restraints and homodimer modeling Uthama Edupuganti
  • Re: Scripts for EPR restraints and homodimer modeling Charles Schwieters
  • Re: Scripts for EPR restraints and homodimer modeling Charles Schwieters
  • Re: Scripts for EPR restraints and homodimer modeling Uthama Edupuganti
• cis peptide using eefx Adel Hussein
  • Re: cis peptide using eefx Charles Schwieters
• Chemical Shift Restraints - Selection Must Select One or Two atoms Jamshidi, Cameron
  • Re: Chemical Shift Restraints - Selection Must Select One or Two atoms Charles Schwieters
  • Re: Chemical Shift Restraints - Selection Must Select One or Two atoms Charles Schwieters
  • Re: Chemical Shift Restraints - Selection Must Select One or Two atoms Bryon Mahler
• Parallel run error Matt Shortridge
  • Re: Parallel run error Charles Schwieters
• setTorsions: WARNING: in version 3.0 Silke Johannsen
  • Re: setTorsions: WARNING: in version 3.0 Charles Schwieters
• parameter error Andrew Hinck
  • Re: parameter error Bermejo, Guillermo (NIH/NIDDK) [E]
• chemical shift restrain celia.gonzalez
  • Re: chemical shift restrain Charles Schwieters
  • Re: chemical shift restrain Woonghee Lee
  • Re: chemical shift restrain Bermejo, Guillermo (NIH/NIDDK) [E]
  • Re: chemical shift restrain celia.gonzalez
• Combining PCS and paramagnetic Induced RDCs John Stiller
  • Re: Combining PCS and paramagnetic Induced RDCs Charles Schwieters
  • Re: Combining PCS and paramagnetic Induced RDCs John Stiller
• TOPPAR folder and topology files missing Himal Kanti Ganguly
  • Re: TOPPAR folder and topology files missing Charles Schwieters
• SAXS and potassium ion CRISTIAN A ESCOBAR BRAVO
  • Re: SAXS and potassium ion Charles Schwieters
• Restrain center of mass Diego Esposito
  • Re: Restrain center of mass Charles Schwieters
• automated optimization of anisotropy tensor? Thomas Pochapsky
  • Re: automated optimization of anisotropy tensor? Charles Schwieters
• PCS-based docking Hinck, Andrew P
  • Re: PCS-based docking Charles Schwieters
• Distance List Miranda
  • Re: Distance List Charles Schwieters
  • Re: Distance List Gabriel Cornilescu
  • Re: Distance List Bermejo, Guillermo (NIH/NIDDK) [E]
• Refinement with Multiple PCSs [email protected]
• refinement with multiple PCSs [email protected]
  • Re: refinement with multiple PCSs Charles Schwieters
  • Re: refinement with multiple PCSs [email protected]
  • Re: refinement with multiple PCSs Charles Schwieters
  • Re: refinement with multiple PCSs [email protected]
  • Re: refinement with multiple PCSs Charles Schwieters
  • Re: refinement with multiple PCSs [email protected]
  • Re: refinement with multiple PCSs Charles Schwieters
  • Re: refinement with multiple PCSs [email protected]
  • Re: refinement with multiple PCSs Charles Schwieters
• add Zn2+ atoms to PDB Qianwen Li
  • Re: add Zn2+ atoms to PDB Charles Schwieters
  • Re: add Zn2+ atoms to PDB Qianwen Li
  • Re: add Zn2+ atoms to PDB Qianwen Li
  • Re: add Zn2+ atoms to PDB Charles Schwieters
• nmr software Madson Nascimento
  • Re: nmr software Charles Schwieters
• rigid body refinement with saxs data Xiaogang Niu
  • Re: rigid body refinement with saxs data Charles Schwieters
• Problem in using multiple threads Rajbinder Kaur Virk
  • Re: Problem in using multiple threads Charles Schwieters
• Distance distribution restraint Tomohide Saio
  • Re: Distance distribution restraint Charles Schwieters
• Re: add missing residues Charles Schwieters
• square well coordinate restraint? and Outputting AtomDensity map Thurber, Kent (NIH/NIDDK) [E]
  • Re: square well coordinate restraint? and Outputting AtomDensity map Charles Schwieters
• Generate a zinc finger protein 于璐璐
  • Re: Generate a zinc finger protein Charles Schwieters
• testDist Salva Guardiola
  • Re: testDist Salva Guardiola
  • Re: testDist Charles Schwieters
• combining two pdbs, psfs Thomas Pochapsky
  • Re: combining two pdbs, psfs Charles Schwieters
• AIB methyl diastereospecific assignment Douglas, Justin Trigalet
  • Re: AIB methyl diastereospecific assignment Charles Schwieters
• psfGen.cisPeptide WOONGHEE LEE
  • Re: psfGen.cisPeptide Charles Schwieters
  • Re: psfGen.cisPeptide WOONGHEE LEE
• tDB violation and add chain ID to pdb for wwPDB validation Ning Zhang
  • Re: tDB violation and add chain ID to pdb for wwPDB validation Charles Schwieters
  • Re: tDB violation and add chain ID to pdb for wwPDB validation Ning Zhang
• Structure refinement by Xplor-NIH of a complex containing modified residues Karuna Dixit
  • Re: Structure refinement by Xplor-NIH of a complex containing modified residues Charles Schwieters
• Re: NH RDCs and CaHa RDC are not compatible? Charles Schwieters
• re-learning XPLOR Thomas Pochapsky
  • Re: re-learning XPLOR Charles Schwieters
  • Re: re-learning XPLOR Thomas Pochapsky
  • Re: re-learning XPLOR Thomas Pochapsky
  • Re: re-learning XPLOR Charles Schwieters
  • Re: re-learning XPLOR Bermejo, Guillermo (NIH/CIT) [E]
• Re: NEF support Charles Schwieters
  • Re: NEF support Kumaran Baskaran
  • Re: NEF support Charles Schwieters
  • Re: NEF support Kumaran Baskaran
• How to add SAXS data to this script Qianwen Li
  • Re: How to add SAXS data to this script Charles Schwieters
• Re: including single metal/pseudoatom parameter in refining of symmetric oligomers Charles Schwieters
• License Agreement Sam Sparks
  • Re: License Agreement Charles Schwieters
• the acceptable range of EEFX energy for high-quality NMR structure Ning Zhang
  • Re: the acceptable range of EEFX energy for high-quality NMR structure Charles Schwieters
• eefxpot: v2.39 vs v2.51 XPLOR-NIH Ning Zhang
  • Re: eefxpot: v2.39 vs v2.51 XPLOR-NIH Charles Schwieters
• Help with use of chemical shift restraints in lanthipeptides Bobeica, Silvia Cristina
  • Re: Help with use of chemical shift restraints in lanthipeptides Charles Schwieters
• annoucement: mailing list moved Charles Schwieters

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