xplor-nih  

Messages by Thread

• NEF support Kumaran Baskaran
• [Xplor-nih] Forward: Re: Topology and parameter files for HYP Charles Schwieters
• [Xplor-nih] including single metal/pseudoatom parameter in refining of symmetric oligomers Rajbinder Kaur Virk
• Re: [Xplor-nih] Topology and parameter files for HYP Charles Schwieters
• [Xplor-nih] Fw: Xplor-NIH mailing list posting Harsini, Faraz
  • Re: [Xplor-nih] Fw: Xplor-NIH mailing list posting Charles Schwieters
• [Xplor-nih] loop error Rajbinder Kaur Virk
  • Re: [Xplor-nih] loop error Charles Schwieters
• [Xplor-nih] error reading topology file Rajbinder Kaur Virk
  • Re: [Xplor-nih] error reading topology file Charles Schwieters
• [Xplor-nih] MDSASO- WDMR-1.1 protocol (‘MDSA for symmetric oligomer starting with a well-defined monomer’; O’Donoghue, 1998). Rajbinder Kaur Virk
  • Re: [Xplor-nih] MDSASO- WDMR-1.1 protocol (‘MDSA for symmetric oligomer starting with a well-defined monomer’; O’Donoghue, 1998). Charles Schwieters
• [Xplor-nih] Violations Sabine Akabayov
• [Xplor-nih] questions regarding calculations with modified residues Sabine Akabayov
  • Re: [Xplor-nih] questions regarding calculations with modified residues Charles Schwieters
• [Xplor-nih] Phosphorylated T/S Parameters + Setup John Stiller
  • Re: [Xplor-nih] Phosphorylated T/S Parameters + Setup Charles Schwieters
• [Xplor-nih] Use of Amber force field in XPLOR-NIH Rajbinder Kaur Virk
  • Re: [Xplor-nih] Use of Amber force field in XPLOR-NIH Charles Schwieters
• [Xplor-nih] how to estimate the running time of the Xplor-NIH scripts? ZhangYikan
  • Re: [Xplor-nih] how to estimate the running time of the Xplor-NIH scripts? ZhangYikan
  • Re: [Xplor-nih] how to estimate the running time of the Xplor-NIH scripts? Gabriel Cornilescu
  • Re: [Xplor-nih] how to estimate the running time of the Xplor-NIH scripts? Charles Schwieters
• [Xplor-nih] trouble changing the threshold for ANGL and IMPR celia . gonzalez
  • Re: [Xplor-nih] trouble changing the threshold for ANGL and IMPR Charles Schwieters
• [Xplor-nih] noe error and residue omission Diego Esposito
  • Re: [Xplor-nih] noe error and residue omission Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] Split noe in different classes Diego Esposito
  • Re: [Xplor-nih] Split noe in different classes Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] Average Structure vs Structure 0 in Single Structure Run John Stiller
  • Re: [Xplor-nih] Average Structure vs Structure 0 in Single Structure Run Gabriel Cornilescu
• [Xplor-nih] Regarding error in structure refinement: PDBTool:read: atom not found in structure Karuna Dixit
  • Re: [Xplor-nih] Regarding error in structure refinement: PDBTool:read: atom not found in structure Charles Schwieters
• [Xplor-nih] ensemble simulation against saxs ZhangYikan
  • Re: [Xplor-nih] ensemble simulation against saxs Charles Schwieters
• [Xplor-nih] Report python manual error Val Yu
• [Xplor-nih] How to use Proton Chemical Shift Restraints in Xplor-NIH? [email protected]
  • Re: [Xplor-nih] How to use Proton Chemical Shift Restraints in Xplor-NIH? Charles Schwieters
  • Re: [Xplor-nih] How to use Proton Chemical Shift Restraints in Xplor-NIH? Val Yu
  • Re: [Xplor-nih] How to use Proton Chemical Shift Restraints in Xplor-NIH? Charles Schwieters
• [Xplor-nih] modeling transient protein interaction Taylor Cole
  • Re: [Xplor-nih] modeling transient protein interaction Charles Schwieters
• [Xplor-nih] Question about potList.setScale Val Yu
  • Re: [Xplor-nih] Question about potList.setScale Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] Query regarding the format of the parameter and force field file Rajbinder Kaur Virk
  • Re: [Xplor-nih] Query regarding the format of the parameter and force field file Charles Schwieters
• Re: [Xplor-nih] problems generating cross-linked peptide structures Charles Schwieters
• [Xplor-nih] how to generate random sequences Mohammad Goodarzi
  • Re: [Xplor-nih] how to generate random sequences Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] how to generate random sequences Charles Schwieters
  • Re: [Xplor-nih] how to generate random sequences Mohammad Goodarzi
• [Xplor-nih] Error with installation on Ubuntu Mohammad Goodarzi
  • Re: [Xplor-nih] Error with installation on Ubuntu Charles Schwieters
• [Xplor-nih] Error I am getting Mohammad Goodarzi
  • Re: [Xplor-nih] Error I am getting Gabriel Cornilescu
  • Re: [Xplor-nih] Error I am getting Mohammad Goodarzi
  • Re: [Xplor-nih] Error I am getting Mohammad Goodarzi
  • Re: [Xplor-nih] Error I am getting Charles Schwieters
  • Re: [Xplor-nih] Error I am getting Mohammad Goodarzi
• [Xplor-nih] peptide-sugar complex structure determination LIU Xuehui
  • Re: [Xplor-nih] peptide-sugar complex structure determination Charles Schwieters
• [Xplor-nih] structure statistics - Violations Eliane Santana
  • Re: [Xplor-nih] structure statistics - Violations Charles Schwieters
• [Xplor-nih] Error occurred during installation in Ubuntu 16.04.3 Ponoop Patro
  • Re: [Xplor-nih] Error occurred during installation in Ubuntu 16.04.3 Charles Schwieters
  • Re: [Xplor-nih] Error occurred during installation in Ubuntu 16.04.3 Ponoop Patro
• [Xplor-nih] NEF support in XPLOR Kumaran Baskaran
  • Re: [Xplor-nih] NEF support in XPLOR Charles Schwieters
  • Re: [Xplor-nih] NEF support in XPLOR Kumaran Baskaran
  • Re: [Xplor-nih] NEF support in XPLOR Charles Schwieters
  • Re: [Xplor-nih] NEF support in XPLOR Kumaran Baskaran
• [Xplor-nih] Example scripts from Methods in Molecular Biology chapter not working Kumaran Baskaran
  • Re: [Xplor-nih] Example scripts from Methods in Molecular Biology chapter not working Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] Example scripts from Methods in Molecular Biology chapter not working Charles Schwieters
  • Re: [Xplor-nih] Example scripts from Methods in Molecular Biology chapter not working Kumaran Baskaran
• [Xplor-nih] Mg2+ error 陈家良
  • Re: [Xplor-nih] Mg2+ error Charles Schwieters
  • Re: [Xplor-nih] Mg2+ error 陈家良
  • Re: [Xplor-nih] Mg2+ error Charles Schwieters
  • Re: [Xplor-nih] Mg2+ error 陈家良
• [Xplor-nih] RDC Error John Stiller
  • Re: [Xplor-nih] RDC Error Charles Schwieters
  • Re: [Xplor-nih] RDC Error Charles Schwieters
  • Re: [Xplor-nih] RDC Error John Stiller
  • Re: [Xplor-nih] RDC Error Charles Schwieters
  • Re: [Xplor-nih] RDC Error John Stiller
• [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling Charles Schwieters
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling Charles Schwieters
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] Zn atoms patching Diego Esposito
  • Re: [Xplor-nih] Zn atoms patching Charles Schwieters
• [Xplor-nih] Reg:Peptide fstrucuture calcultations Narendra Reddy
  • Re: [Xplor-nih] Reg:Peptide fstrucuture calcultations Charles Schwieters
  • Re: [Xplor-nih] Reg:Peptide fstrucuture calcultations Charles Schwieters
• [Xplor-nih] question about the energy parameter initialization in python scripts Hélène Déméné
  • Re: [Xplor-nih] question about the energy parameter initialization in python scripts Charles Schwieters
  • Re: [Xplor-nih] question about the energy parameter initialization in python scripts Bermejo, Guillermo (NIH/CIT) [E]
  • Re: [Xplor-nih] question about the energy parameter initialization in python scripts Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] rigid dock parameters ZhangYikan
• [Xplor-nih] dock2.py for rigid body RNA conformational sampling ZhangYikan
  • Re: [Xplor-nih] dock2.py for rigid body RNA conformational sampling Charles Schwieters
  • [Xplor-nih] Help asked to Charles chapron yves
• [Xplor-nih] Ensemble simulation against SAXS data ZhangYikan
  • Re: [Xplor-nih] Ensemble simulation against SAXS data Charles Schwieters
• [Xplor-nih] intermolecular PCS for a weak complex Taylor Cole
  • Re: [Xplor-nih] intermolecular PCS for a weak complex Charles Schwieters
• [Xplor-nih] Ensemble simulation ZhangYikan
  • Re: [Xplor-nih] Ensemble simulation Charles Schwieters
• [Xplor-nih] add missing fragments to the RNA structure ZhangYikan
  • Re: [Xplor-nih] add missing fragments to the RNA structure Charles Schwieters
• [Xplor-nih] 3D-NuS: A Web Server for Automated Modeling and Visualization of Non-Canonical 3-Dimensional Nucleic Acid Structur Ponoop Patro
• [Xplor-nih] Generating Topology and parameter table for small molecule #FERNALDO RICHTIA WINNERDY#
  • Re: [Xplor-nih] Generating Topology and parameter table for small molecule Charles Schwieters
• [Xplor-nih] Planarity outliers Krishnarjuna Bankala
  • Re: [Xplor-nih] Planarity outliers Charles Schwieters
  • Re: [Xplor-nih] Planarity outliers Charles Schwieters
  • Re: [Xplor-nih] Planarity outliers Charles Schwieters
• [Xplor-nih] water refine cyclic peptides Matthew D Shortridge
  • Re: [Xplor-nih] water refine cyclic peptides Charles Schwieters
  • Re: [Xplor-nih] water refine cyclic peptides Matthew D Shortridge
  • Re: [Xplor-nih] water refine cyclic peptides Charles Schwieters
  • Re: [Xplor-nih] water refine cyclic peptides Matthew D Shortridge
  • Re: [Xplor-nih] water refine cyclic peptides Charles Schwieters
• [Xplor-nih] Connection reset messages Weatherby,Gerard
  • Re: [Xplor-nih] Connection reset messages Charles Schwieters
  • Re: [Xplor-nih] Connection reset messages Weatherby,Gerard
• [Xplor-nih] Problem with NOE restraints Stefano Stragliotto
  • Re: [Xplor-nih] Problem with NOE restraints Charles Schwieters
• [Xplor-nih] Conformational sampling by Xplor-NIH ZhangYikan
  • Re: [Xplor-nih] Conformational sampling by Xplor-NIH Charles Schwieters
• [Xplor-nih] Calling python from a tcl Xplor script Keith Cross
  • Re: [Xplor-nih] Calling python from a tcl Xplor script Charles Schwieters
• [Xplor-nih] pb with readin a pdb containing zinc atoms Hélène Déméné
  • Re: [Xplor-nih] pb with readin a pdb containing zinc atoms Charles Schwieters
• [Xplor-nih] Error with structure calculation Sudakshina Ganguly
  • Re: [Xplor-nih] Error with structure calculation Charles Schwieters
• [Xplor-nih] violation in 2.43 Hu, Qi, Ph.D.
  • Re: [Xplor-nih] violation in 2.43 Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] Problem in DNA-ligand refinement script Sudakshina Ganguly
  • Re: [Xplor-nih] Problem in DNA-ligand refinement script Charles Schwieters
• [Xplor-nih] About NMR Back-calculation Refinement [email protected]
  • Re: [Xplor-nih] About NMR Back-calculation Refinement Charles Schwieters
• [Xplor-nih] DNA-ligand structure generation Sudakshina Ganguly
  • Re: [Xplor-nih] DNA-ligand structure generation Charles Schwieters
• [Xplor-nih] Ligand generation in Xplor Sudakshina Ganguly
  • Re: [Xplor-nih] Ligand generation in Xplor Charles Schwieters
  • [Xplor-nih] Ligand generation in Xplor Sudakshina Ganguly
  • Re: [Xplor-nih] Ligand generation in Xplor Charles Schwieters
• [Xplor-nih] Problem in water refinement Val Yu
  • Re: [Xplor-nih] Problem in water refinement Charles Schwieters
  • Re: [Xplor-nih] Problem in water refinement Charles Schwieters
  • Re: [Xplor-nih] Problem in water refinement Val Yu
  • Re: [Xplor-nih] Problem in water refinement Val Yu
  • Re: [Xplor-nih] Problem in water refinement Charles Schwieters
  • Re: [Xplor-nih] Problem in water refinement Val Yu
  • Re: [Xplor-nih] Problem in water refinement Charles Schwieters
  • Re: [Xplor-nih] Problem in water refinement Charles Schwieters
• [Xplor-nih] How to keep water in final structures? Val Yu
  • Re: [Xplor-nih] How to keep water in final structures? Charles Schwieters
  • Re: [Xplor-nih] How to keep water in final structures? Val Yu
• [Xplor-nih] multi-conformer tag representation Taylor Cole
  • Re: [Xplor-nih] multi-conformer tag representation Bermejo, Guillermo (NIH/CIT) [E]
• [Xplor-nih] Xplor changing residue stereochemistry HOUSTON Douglas
  • Re: [Xplor-nih] Xplor changing residue stereochemistry Charles Schwieters
• [Xplor-nih] xplor-nih installation for mac ZhangYikan
  • Re: [Xplor-nih] xplor-nih installation for mac Charles Schwieters
  • Re: [Xplor-nih] xplor-nih installation for mac Charles Schwieters
  • Re: [Xplor-nih] xplor-nih installation for mac Charles Schwieters
• [Xplor-nih] pdbToPSF generation problem Sudakshina Ganguly
  • Re: [Xplor-nih] pdbToPSF generation problem Charles Schwieters
  • Re: [Xplor-nih] pdbToPSF generation problem Sudakshina Ganguly
  • Re: [Xplor-nih] pdbToPSF generation problem Charles Schwieters
  • Re: [Xplor-nih] pdbToPSF generation problem Sudakshina Ganguly
• [Xplor-nih] xplor Water refinement of protein structures srinivas penumutchu
• [Xplor-nih] Error shown during DNA structure refinement Sudakshina Ganguly
  • Re: [Xplor-nih] Error shown during DNA structure refinement Charles Schwieters
• [Xplor-nih] Constructing duplex DNA in Xplor Sudakshina Ganguly
  • Re: [Xplor-nih] Constructing duplex DNA in Xplor Charles Schwieters
• [Xplor-nih] Suggestions for stapled peptide refinement? HOUSTON Douglas
  • Re: [Xplor-nih] Suggestions for stapled peptide refinement? Charles Schwieters
• [Xplor-nih] fixupCovalentGeom: Covalent geometry still violated at exit HOUSTON Douglas
  • Re: [Xplor-nih] fixupCovalentGeom: Covalent geometry still violated at exit Charles Schwieters
• [Xplor-nih] Atom selection question Hu, Qi, Ph.D.
  • Re: [Xplor-nih] Atom selection question Charles Schwieters
  • Re: [Xplor-nih] Atom selection question Hu, Qi, Ph.D.
• [Xplor-nih] About HBDA term Val Yu
  • Re: [Xplor-nih] About HBDA term Charles Schwieters
  • Re: [Xplor-nih] About HBDA term Val Yu

• Earlier messages