xplor-nih

Messages by Date

2019/07/31 NEF support Kumaran Baskaran
2019/06/22 [Xplor-nih] Forward: Re: Topology and parameter files for HYP Charles Schwieters
2019/06/13 [Xplor-nih] including single metal/pseudoatom parameter in refining of symmetric oligomers Rajbinder Kaur Virk
2019/04/16 Re: [Xplor-nih] Topology and parameter files for HYP Charles Schwieters
2019/04/10 Re: [Xplor-nih] Fw: Xplor-NIH mailing list posting Charles Schwieters
2019/04/10 [Xplor-nih] Fw: Xplor-NIH mailing list posting Harsini, Faraz
2019/02/04 Re: [Xplor-nih] loop error Charles Schwieters
2019/02/01 [Xplor-nih] loop error Rajbinder Kaur Virk
2019/01/23 Re: [Xplor-nih] error reading topology file Charles Schwieters
2019/01/23 [Xplor-nih] error reading topology file Rajbinder Kaur Virk
2019/01/14 Re: [Xplor-nih] MDSASO- WDMR-1.1 protocol (‘MDSA for symmetric oligomer starting with a well-defined monomer’; O’Donoghue, 1998). Charles Schwieters
2019/01/12 [Xplor-nih] MDSASO- WDMR-1.1 protocol (‘MDSA for symmetric oligomer starting with a well-defined monomer’; O’Donoghue, 1998). Rajbinder Kaur Virk
2018/12/31 Re: [Xplor-nih] questions regarding calculations with modified residues Charles Schwieters
2018/12/31 [Xplor-nih] Violations Sabine Akabayov
2018/12/31 [Xplor-nih] questions regarding calculations with modified residues Sabine Akabayov
2018/12/19 Re: [Xplor-nih] Phosphorylated T/S Parameters + Setup Charles Schwieters
2018/12/19 [Xplor-nih] Phosphorylated T/S Parameters + Setup John Stiller
2018/11/15 Re: [Xplor-nih] Use of Amber force field in XPLOR-NIH Charles Schwieters
2018/11/14 [Xplor-nih] Use of Amber force field in XPLOR-NIH Rajbinder Kaur Virk
2018/11/13 Re: [Xplor-nih] how to estimate the running time of the Xplor-NIH scripts? Charles Schwieters
2018/11/12 Re: [Xplor-nih] how to estimate the running time of the Xplor-NIH scripts? Gabriel Cornilescu
2018/11/12 Re: [Xplor-nih] how to estimate the running time of the Xplor-NIH scripts? ZhangYikan
2018/11/12 [Xplor-nih] how to estimate the running time of the Xplor-NIH scripts? ZhangYikan
2018/10/20 Re: [Xplor-nih] trouble changing the threshold for ANGL and IMPR Charles Schwieters
2018/10/20 [Xplor-nih] trouble changing the threshold for ANGL and IMPR celia . gonzalez
2018/09/12 Re: [Xplor-nih] noe error and residue omission Bermejo, Guillermo (NIH/CIT) [E]
2018/09/12 [Xplor-nih] noe error and residue omission Diego Esposito
2018/08/23 Re: [Xplor-nih] Split noe in different classes Bermejo, Guillermo (NIH/CIT) [E]
2018/08/23 [Xplor-nih] Split noe in different classes Diego Esposito
2018/07/18 Re: [Xplor-nih] Average Structure vs Structure 0 in Single Structure Run Gabriel Cornilescu
2018/07/18 [Xplor-nih] Average Structure vs Structure 0 in Single Structure Run John Stiller
2018/07/06 Re: [Xplor-nih] Regarding error in structure refinement: PDBTool:read: atom not found in structure Charles Schwieters
2018/07/06 [Xplor-nih] Regarding error in structure refinement: PDBTool:read: atom not found in structure Karuna Dixit
2018/06/04 Re: [Xplor-nih] ensemble simulation against saxs Charles Schwieters
2018/06/02 [Xplor-nih] ensemble simulation against saxs ZhangYikan
2018/05/24 [Xplor-nih] Report python manual error Val Yu
2018/05/17 Re: [Xplor-nih] How to use Proton Chemical Shift Restraints in Xplor-NIH? Charles Schwieters
2018/05/16 Re: [Xplor-nih] How to use Proton Chemical Shift Restraints in Xplor-NIH? Val Yu
2018/05/15 Re: [Xplor-nih] How to use Proton Chemical Shift Restraints in Xplor-NIH? Charles Schwieters
2018/05/14 [Xplor-nih] How to use Proton Chemical Shift Restraints in Xplor-NIH? [email protected]
2018/05/10 Re: [Xplor-nih] modeling transient protein interaction Charles Schwieters
2018/05/10 [Xplor-nih] modeling transient protein interaction Taylor Cole
2018/04/17 Re: [Xplor-nih] Question about potList.setScale Bermejo, Guillermo (NIH/CIT) [E]
2018/04/17 [Xplor-nih] Question about potList.setScale Val Yu
2018/04/09 Re: [Xplor-nih] Query regarding the format of the parameter and force field file Charles Schwieters
2018/04/07 [Xplor-nih] Query regarding the format of the parameter and force field file Rajbinder Kaur Virk
2018/04/06 Re: [Xplor-nih] problems generating cross-linked peptide structures Charles Schwieters
2018/03/22 Re: [Xplor-nih] Error I am getting Mohammad Goodarzi
2018/03/22 Re: [Xplor-nih] how to generate random sequences Mohammad Goodarzi
2018/03/22 Re: [Xplor-nih] how to generate random sequences Charles Schwieters
2018/03/22 Re: [Xplor-nih] Error I am getting Charles Schwieters
2018/03/22 Re: [Xplor-nih] Error with installation on Ubuntu Charles Schwieters
2018/03/22 Re: [Xplor-nih] how to generate random sequences Bermejo, Guillermo (NIH/CIT) [E]
2018/03/22 [Xplor-nih] how to generate random sequences Mohammad Goodarzi
2018/03/22 Re: [Xplor-nih] Error I am getting Mohammad Goodarzi
2018/03/22 Re: [Xplor-nih] Error I am getting Mohammad Goodarzi
2018/03/22 Re: [Xplor-nih] Error I am getting Gabriel Cornilescu
2018/03/22 [Xplor-nih] Error with installation on Ubuntu Mohammad Goodarzi
2018/03/22 [Xplor-nih] Error I am getting Mohammad Goodarzi
2018/03/02 Re: [Xplor-nih] peptide-sugar complex structure determination Charles Schwieters
2018/03/01 [Xplor-nih] peptide-sugar complex structure determination LIU Xuehui
2018/02/09 Re: [Xplor-nih] structure statistics - Violations Charles Schwieters
2018/02/09 [Xplor-nih] structure statistics - Violations Eliane Santana
2018/02/06 Re: [Xplor-nih] Error occurred during installation in Ubuntu 16.04.3 Ponoop Patro
2018/02/06 Re: [Xplor-nih] Error occurred during installation in Ubuntu 16.04.3 Charles Schwieters
2018/02/05 [Xplor-nih] Error occurred during installation in Ubuntu 16.04.3 Ponoop Patro
2018/02/01 Re: [Xplor-nih] NEF support in XPLOR Charles Schwieters
2018/02/01 Re: [Xplor-nih] NEF support in XPLOR Kumaran Baskaran
2018/02/01 Re: [Xplor-nih] NEF support in XPLOR Kumaran Baskaran
2018/02/01 Re: [Xplor-nih] NEF support in XPLOR Charles Schwieters
2018/02/01 [Xplor-nih] NEF support in XPLOR Kumaran Baskaran
2018/01/31 Re: [Xplor-nih] Example scripts from Methods in Molecular Biology chapter not working Charles Schwieters
2018/01/31 Re: [Xplor-nih] Example scripts from Methods in Molecular Biology chapter not working Kumaran Baskaran
2018/01/31 Re: [Xplor-nih] Example scripts from Methods in Molecular Biology chapter not working Bermejo, Guillermo (NIH/CIT) [E]
2018/01/31 [Xplor-nih] Example scripts from Methods in Molecular Biology chapter not working Kumaran Baskaran
2018/01/03 Re: [Xplor-nih] Mg2+ error 陈家良
2017/12/31 Re: [Xplor-nih] Mg2+ error Charles Schwieters
2017/12/30 Re: [Xplor-nih] Mg2+ error 陈家良
2017/12/29 Re: [Xplor-nih] Mg2+ error Charles Schwieters
2017/12/28 [Xplor-nih] Mg2+ error 陈家良
2017/12/15 Re: [Xplor-nih] RDC Error John Stiller
2017/12/15 Re: [Xplor-nih] RDC Error Charles Schwieters
2017/12/15 Re: [Xplor-nih] RDC Error John Stiller
2017/12/15 Re: [Xplor-nih] RDC Error Charles Schwieters
2017/12/15 Re: [Xplor-nih] RDC Error Charles Schwieters
2017/12/15 [Xplor-nih] RDC Error John Stiller
2017/12/13 Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
2017/12/13 Re: [Xplor-nih] Wrong topology structures in conformational sampling Charles Schwieters
2017/12/13 Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
2017/12/12 Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
2017/12/12 Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
2017/12/12 Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
2017/12/12 Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
2017/12/11 Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
2017/12/11 Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
2017/12/11 Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
2017/12/11 Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
2017/12/08 Re: [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
2017/12/08 Re: [Xplor-nih] Wrong topology structures in conformational sampling Bermejo, Guillermo (NIH/CIT) [E]
2017/12/08 Re: [Xplor-nih] Wrong topology structures in conformational sampling Charles Schwieters
2017/12/08 [Xplor-nih] Wrong topology structures in conformational sampling ZhangYikan
2017/12/07 Re: [Xplor-nih] water refinement Charles Schwieters
2017/12/07 [Xplor-nih] water refinement Jelena Habjanič
2017/12/06 Re: [Xplor-nih] Zn atoms patching Charles Schwieters
2017/12/06 [Xplor-nih] Zn atoms patching Diego Esposito
2017/12/01 Re: [Xplor-nih] Ensemble calculation Charles Schwieters
2017/11/30 [Xplor-nih] Ensemble calculation Keith Cross
2017/11/28 Re: [Xplor-nih] Reg:Peptide fstrucuture calcultations Charles Schwieters
2017/11/27 Re: [Xplor-nih] Reg:Peptide fstrucuture calcultations Charles Schwieters
2017/11/27 [Xplor-nih] Reg:Peptide fstrucuture calcultations Narendra Reddy
2017/11/22 Re: [Xplor-nih] question about the energy parameter initialization in python scripts Bermejo, Guillermo (NIH/CIT) [E]
2017/11/21 Re: [Xplor-nih] question about the energy parameter initialization in python scripts Bermejo, Guillermo (NIH/CIT) [E]
2017/11/21 [Xplor-nih] Help asked to Charles chapron yves
2017/11/21 Re: [Xplor-nih] question about the energy parameter initialization in python scripts Charles Schwieters
2017/11/21 [Xplor-nih] question about the energy parameter initialization in python scripts Hélène Déméné
2017/11/09 [Xplor-nih] rigid dock parameters ZhangYikan
2017/11/02 Re: [Xplor-nih] dock2.py for rigid body RNA conformational sampling Charles Schwieters
2017/11/01 [Xplor-nih] dock2.py for rigid body RNA conformational sampling ZhangYikan
2017/10/10 Re: [Xplor-nih] Ensemble simulation against SAXS data Charles Schwieters
2017/10/09 [Xplor-nih] Ensemble simulation against SAXS data ZhangYikan
2017/10/05 Re: [Xplor-nih] intermolecular PCS for a weak complex Charles Schwieters
2017/10/03 [Xplor-nih] intermolecular PCS for a weak complex Taylor Cole
2017/09/28 Re: [Xplor-nih] Ensemble simulation Charles Schwieters
2017/09/28 [Xplor-nih] Ensemble simulation ZhangYikan
2017/08/31 Re: [Xplor-nih] add missing fragments to the RNA structure Charles Schwieters
2017/08/31 [Xplor-nih] add missing fragments to the RNA structure ZhangYikan
2017/07/28 [Xplor-nih] 3D-NuS: A Web Server for Automated Modeling and Visualization of Non-Canonical 3-Dimensional Nucleic Acid Structur Ponoop Patro
2017/07/05 Re: [Xplor-nih] Generating Topology and parameter table for small molecule Charles Schwieters
2017/07/03 [Xplor-nih] Generating Topology and parameter table for small molecule #FERNALDO RICHTIA WINNERDY#
2017/06/16 Re: [Xplor-nih] Planarity outliers Charles Schwieters
2017/06/15 Re: [Xplor-nih] Planarity outliers Charles Schwieters
2017/06/14 Re: [Xplor-nih] Planarity outliers Charles Schwieters
2017/06/13 [Xplor-nih] Planarity outliers Krishnarjuna Bankala
2017/06/07 Re: [Xplor-nih] Average structure sara20
2017/06/05 Re: [Xplor-nih] water refine cyclic peptides Charles Schwieters
2017/06/05 Re: [Xplor-nih] water refine cyclic peptides Matthew D Shortridge
2017/06/05 Re: [Xplor-nih] water refine cyclic peptides Charles Schwieters
2017/06/05 Re: [Xplor-nih] water refine cyclic peptides Matthew D Shortridge
2017/06/05 Re: [Xplor-nih] Average structure Charles Schwieters
2017/06/05 Re: [Xplor-nih] water refine cyclic peptides Charles Schwieters
2017/06/05 [Xplor-nih] Average structure sara20
2017/06/03 [Xplor-nih] water refine cyclic peptides Matthew D Shortridge
2017/05/25 Re: [Xplor-nih] Connection reset messages Weatherby,Gerard
2017/05/24 Re: [Xplor-nih] Connection reset messages Charles Schwieters
2017/05/24 [Xplor-nih] Connection reset messages Weatherby,Gerard
2017/05/22 Re: [Xplor-nih] Conformational sampling by Xplor-NIH Charles Schwieters
2017/05/22 Re: [Xplor-nih] Problem with NOE restraints Charles Schwieters
2017/05/22 [Xplor-nih] Problem with NOE restraints Stefano Stragliotto
2017/05/22 [Xplor-nih] Conformational sampling by Xplor-NIH ZhangYikan
2017/05/18 Re: [Xplor-nih] Calling python from a tcl Xplor script Charles Schwieters
2017/05/17 [Xplor-nih] Calling python from a tcl Xplor script Keith Cross
2017/05/15 Re: [Xplor-nih] pb with readin a pdb containing zinc atoms Charles Schwieters
2017/05/15 [Xplor-nih] pb with readin a pdb containing zinc atoms Hélène Déméné
2017/03/24 Re: [Xplor-nih] Error with structure calculation Charles Schwieters
2017/03/24 [Xplor-nih] Error with structure calculation Sudakshina Ganguly
2017/03/03 Re: [Xplor-nih] violation in 2.43 Bermejo, Guillermo (NIH/CIT) [E]
2017/03/02 [Xplor-nih] violation in 2.43 Hu, Qi, Ph.D.
2017/03/02 Re: [Xplor-nih] Ligand generation in Xplor Charles Schwieters
2017/03/02 [Xplor-nih] Ligand generation in Xplor Sudakshina Ganguly
2017/03/01 Re: [Xplor-nih] Problem in DNA-ligand refinement script Charles Schwieters
2017/03/01 [Xplor-nih] Problem in DNA-ligand refinement script Sudakshina Ganguly
2017/02/26 Re: [Xplor-nih] About NMR Back-calculation Refinement Charles Schwieters
2017/02/25 [Xplor-nih] About NMR Back-calculation Refinement [email protected]
2017/02/24 Re: [Xplor-nih] DNA-ligand structure generation Charles Schwieters
2017/02/24 [Xplor-nih] DNA-ligand structure generation Sudakshina Ganguly
2017/02/22 Re: [Xplor-nih] Ligand generation in Xplor Charles Schwieters
2017/02/22 [Xplor-nih] Ligand generation in Xplor Sudakshina Ganguly
2017/02/15 Re: [Xplor-nih] Problem in water refinement Charles Schwieters
2017/02/15 Re: [Xplor-nih] Problem in water refinement Val Yu
2017/02/14 Re: [Xplor-nih] Problem in water refinement Charles Schwieters
2017/02/13 Re: [Xplor-nih] Problem in water refinement Val Yu
2017/02/13 Re: [Xplor-nih] xplor-nih installation for mac Charles Schwieters
2017/02/13 Re: [Xplor-nih] Problem in water refinement Charles Schwieters
2017/02/13 Re: [Xplor-nih] Problem in water refinement Val Yu
2017/02/13 Re: [Xplor-nih] Problem in water refinement Charles Schwieters
2017/02/13 Re: [Xplor-nih] Problem in water refinement Charles Schwieters
2017/02/12 [Xplor-nih] Problem in water refinement Val Yu
2017/02/10 Re: [Xplor-nih] How to keep water in final structures? Val Yu
2017/02/09 Re: [Xplor-nih] xplor-nih installation for mac Charles Schwieters
2017/02/09 Re: [Xplor-nih] How to keep water in final structures? Charles Schwieters
2017/02/08 [Xplor-nih] How to keep water in final structures? Val Yu
2017/02/03 Re: [Xplor-nih] multi-conformer tag representation Bermejo, Guillermo (NIH/CIT) [E]
2017/02/03 [Xplor-nih] multi-conformer tag representation Taylor Cole
2017/01/23 Re: [Xplor-nih] xplor-nih installation for mac Charles Schwieters
2017/01/23 Re: [Xplor-nih] Xplor changing residue stereochemistry Charles Schwieters
2017/01/23 [Xplor-nih] Xplor changing residue stereochemistry HOUSTON Douglas
2017/01/23 [Xplor-nih] xplor-nih installation for mac ZhangYikan
2016/12/21 Re: [Xplor-nih] pdbToPSF generation problem Charles Schwieters
2016/12/20 Re: [Xplor-nih] pdbToPSF generation problem Sudakshina Ganguly
2016/12/20 Re: [Xplor-nih] pdbToPSF generation problem Sudakshina Ganguly
2016/12/20 Re: [Xplor-nih] pdbToPSF generation problem Charles Schwieters
2016/12/19 [Xplor-nih] pdbToPSF generation problem Sudakshina Ganguly
2016/12/16 Re: [Xplor-nih] Error shown during DNA structure refinement Charles Schwieters
2016/12/16 [Xplor-nih] xplor Water refinement of protein structures srinivas penumutchu
2016/12/16 [Xplor-nih] (no subject) srinivas penumutchu
2016/12/16 [Xplor-nih] Error shown during DNA structure refinement Sudakshina Ganguly
2016/12/13 Re: [Xplor-nih] Constructing duplex DNA in Xplor Charles Schwieters
2016/12/13 [Xplor-nih] Constructing duplex DNA in Xplor Sudakshina Ganguly
2016/12/06 Re: [Xplor-nih] Suggestions for stapled peptide refinement? Charles Schwieters
2016/12/06 [Xplor-nih] Suggestions for stapled peptide refinement? HOUSTON Douglas

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