xplor-nih

Messages by Date

2026/02/17 Re: Structural Validation Charles Schwieters
2026/02/12 Re: Software Quotation of XPLOR-NIH Charles Schwieters
2026/02/11 Re: Software Quotation of XPLOR-NIH Jia Zhao（CG）
2026/02/02 Re: Inqiury on Xplor-NIH store1 usage Charles Schwieters
2026/01/08 Re: XPLOR-NIH Installation Question Charles Schwieters
2026/01/08 XPLOR-NIH Installation Question Molly Weber
2025/07/11 Re: PNA structure calculation Gary Thompson
2025/07/10 Re: Industry License Charles Schwieters
2025/07/10 Industry License Stephen White
2025/07/01 Re: Question on fiber diffraction refinement in Xplor-NIH. Charles Schwieters
2025/06/30 Question on fiber diffraction refinement in Xplor-NIH. 이정준
2025/06/11 Re: PNA structure calculation Gary Thompson
2025/06/11 Re: PNA structure calculation Charles Schwieters
2025/06/11 PNA structure calculation Lie Vianney
2025/06/11 Re: PNA structure calculation Charles Schwieters
2025/06/11 Re: PNA structure calculation Gary Thompson
2025/03/20 Re: incorporating floating chiralities in XPLOR-NIH 3.9 using a python script Charles Schwieters
2025/03/20 incorporating floating chiralities in XPLOR-NIH 3.9 using a python script Allwin
2025/03/11 Re: Regarding structure determination of peptides using Xplor Charles Schwieters
2025/03/06 Re: readNEF doubles protein sizes of hetero-dimers Mingxuan Jiang
2025/03/06 Regarding structure determination of peptides using Xplor Kirthi Joshi
2025/03/05 Re: readNEF doubles protein sizes of hetero-dimers Charles Schwieters
2025/03/04 Re: readNEF doubles protein sizes of hetero-dimers Charles Schwieters
2025/03/04 Re: readNEF doubles protein sizes of hetero-dimers Charles Schwieters
2025/02/13 Re: x-plor 3.9 error Charles Schwieters
2025/02/13 Re: x-plor 3.9 error Charles Schwieters
2025/02/13 x-plor 3.9 error Georg Kontaxis
2025/01/13 Re: Xplor-NIH NMR calculation failures Charles Schwieters
2025/01/13 Xplor-NIH NMR calculation failures Tyler Mallett
2024/12/02 Re: Xplor NIH download Charles Schwieters
2024/12/01 Xplor NIH download 傅青山
2024/11/28 Re: Too much memory requested Andrew Atkinson
2024/11/27 Re: Too much memory requested Charles Schwieters
2024/11/27 Too much memory requested Andrew Atkinson
2024/11/26 Re: XPLOR-NIH Structure Refinement using refine.py Charles Schwieters
2024/11/26 Re: XPLOR-NIH Structure Refinement using refine.py Andras Czajlik
2024/11/25 Re: XPLOR-NIH Structure Refinement using refine.py Charles Schwieters
2024/11/25 XPLOR-NIH Structure Refinement using refine.py adjunktus
2024/08/20 Re: Question about script - start_structures, prevent removing bond bond Charles Schwieters
2024/08/20 Question about script - start_structures, breaking bond Lie Vianney
2024/08/20 Question about script - start_structures, prevent removing bond bond Lie Vianney
2024/07/30 Re: testDist Error Charles Schwieters
2024/07/29 testDist Error Han Wei
2024/07/08 Re: XPLOR-NIH Structure calculation using fold.py script Charles Schwieters
2024/07/06 XPLOR-NIH Structure calculation using fold.py script Kevin
2024/06/28 Re: Refine CYANA structure with phosphoserine (SEP) Charles Schwieters
2024/06/28 Refine CYANA structure with phosphoserine (SEP) Mukundan Ragavan
2024/06/21 Re: issue while running xplor-nih Kirthi Joshi
2024/06/20 Re: issue while running xplor-nih Charles Schwieters
2024/06/20 issue while running xplor-nih Kirthi Joshi
2024/06/19 Re: Problem distributing runs over multiple machines Charles Schwieters
2024/06/19 Problem distributing runs over multiple machines John Kirkpatrick
2024/06/04 Re: XPLOR-NIH manual patch to incorporate intramolecular crosslink and other questions Charles Schwieters
2024/06/04 Re: XPLOR-NIH manual patch to incorporate intramolecular crosslink and other questions Gary Thompson
2024/06/04 Re: XPLOR-NIH manual patch to incorporate intramolecular crosslink and other questions Charles Schwieters
2024/06/03 XPLOR-NIH manual patch to incorporate intramolecular crosslink and other questions Suze Ma
2024/05/29 Re: Error running anneal.py Charles Schwieters
2024/05/29 Error running anneal.py Rafael Rodriguez
2024/04/30 Re: refine and wrefine structure protein with bound Ca2+ ligand Charles Schwieters
2024/04/29 refine and wrefine structure protein with bound Ca2+ ligand Kelly, Mark
2024/03/19 Re: Angle, Bond and Improper Structure Statistics as Mean and SD for Publication Charles Schwieters
2024/03/19 Re: Angle, Bond and Improper Structure Statistics as Mean and SD for Publication Kelly, Mark
2024/03/19 Re: Angle, Bond and Improper Structure Statistics as Mean and SD for Publication Charles Schwieters
2024/03/18 Re: Angle, Bond and Improper Structure Statistics as Mean and SD for Publication Kelly, Mark
2024/03/18 Re: Angle, Bond and Improper Structure Statistics as Mean and SD for Publication Charles Schwieters
2024/03/16 Angle, Bond and Improper Structure Statistics as Mean and SD for Publication Kelly, Mark
2024/03/04 Re: NMR Statistics For Publication Charles Schwieters
2024/03/03 NMR Statistics For Publication Kelly, Mark
2024/02/27 Re: Noe parameters Gary Thompson
2024/02/27 Re: Noe parameters Charles Schwieters
2024/02/27 Noe parameters Laura Rigobello - [email protected]
2023/12/18 Re: Multiple-state Structure Calculation with eNOEs Charles Schwieters
2023/12/18 Multiple-state Structure Calculation with eNOEs Celia González Moya cgonzalez94
2023/12/16 Re: Refine CYANA Structure with Cys2, His2 ZN finger Charles Schwieters
2023/12/15 Re: Refine CYANA Structure with Cys2, His2 ZN finger Mark Kelly
2023/12/15 Re: Refine CYANA Structure with Cys2, His2 ZN finger Charles Schwieters
2023/12/14 Re: Refine CYANA Structure with Cys2, His2 ZN finger Mark Kelly
2023/12/12 Re: Enquiry on Xplor-NIH package installation Charles Schwieters
2023/12/11 Enquiry on Xplor-NIH package installation Chia Le Yi
2023/12/07 Re: Fwd: Structure refinement using PCS Charles Schwieters
2023/12/07 Re: Fwd: Structure refinement using PCS Adedolapo Ojoawo
2023/12/07 Re: Fwd: Structure refinement using PCS Charles Schwieters
2023/12/07 Re: Fwd: Structure refinement using PCS Adedolapo Ojoawo
2023/12/05 Re: Fwd: Structure refinement using PCS Charles Schwieters
2023/12/05 Re: Fwd: Structure refinement using PCS Adedolapo Ojoawo
2023/12/04 Re: Changing Weights for SAXS ensemble Diego Esposito
2023/12/04 Re: Refine CYANA Structure with Cys2, His2 ZN finger Charles Schwieters
2023/12/04 Re: Changing Weights for SAXS ensemble Charles Schwieters
2023/12/04 Re: Changing Weights for SAXS ensemble Diego Esposito
2023/12/03 Re: Refine CYANA Structure with Cys2, His2 ZN finger Kelly, Mark
2023/12/02 Re: Refine CYANA Structure with Cys2, His2 ZN finger Charles Schwieters
2023/12/01 Re: Refine CYANA Structure with Cys2, His2 ZN finger Mark Kelly
2023/12/01 Re: Refine CYANA Structure with Cys2, His2 ZN finger Mark Kelly
2023/12/01 Re: Changing Weights for SAXS ensemble Charles Schwieters
2023/12/01 Re: Changing Weights for SAXS ensemble Diego Esposito
2023/11/30 Re: Changing Weights for SAXS ensemble Charles Schwieters
2023/11/30 Re: Changing Weights for SAXS ensemble Diego Esposito
2023/11/30 Re: Changing Weights for SAXS ensemble Charles Schwieters
2023/11/30 Re: Fwd: Structure refinement using PCS Charles Schwieters
2023/11/30 Changing Weights for SAXS ensemble Diego Esposito
2023/11/29 Re: Fwd: Structure refinement using PCS Adedolapo Ojoawo
2023/11/29 Re: Fwd: Structure refinement using PCS Charles Schwieters
2023/11/29 Fwd: Structure refinement using PCS Adedolapo Ojoawo
2023/11/13 Re: Refine CYANA Structure with Cys2, His2 ZN finger Charles Schwieters
2023/11/13 Re: Refine CYANA Structure with Cys2, His2 ZN finger Kelly, Mark
2023/11/13 Re: Refine CYANA Structure with Cys2, His2 ZN finger Charles Schwieters
2023/11/12 Re: Refine CYANA Structure with Cys2, His2 ZN finger Kelly, Mark
2023/11/12 Re: Refine CYANA Structure with Cys2, His2 ZN finger Charles Schwieters
2023/11/12 Re: Refine CYANA Structure with Cys2, His2 ZN finger Kelly, Mark
2023/11/11 Re: Refine CYANA Structure with Cys2, His2 ZN finger Charles Schwieters
2023/11/11 Refine CYANA Structure with Cys2, His2 ZN finger Kelly, Mark
2023/11/08 Re: Structure refinement using PCS Charles Schwieters
2023/11/08 Structure refinement using PCS Adedolapo Ojoawo
2023/10/29 Re: PosDiffPot Set Up in Minimization Charles Schwieters
2023/10/27 PosDiffPot Set Up in Minimization Chengming He
2023/10/18 Re: NEF file generator from .tbl files Charles Schwieters
2023/10/18 NEF file generator from .tbl files Adedolapo Ojoawo
2023/09/27 Re: Histidine Patches for Metals; Cu Charles Schwieters
2023/09/26 Re: Histidine Patches for Metals; Cu Kelly, Mark
2023/09/25 Re: addAtoms to an existing structure Charles Schwieters
2023/09/25 addAtoms to an existing structure Diego Esposito
2023/09/25 Re: Ratio of gyration potential Charles Schwieters
2023/09/25 Ratio of gyration potential Diego Esposito
2023/09/07 Re: Help with lasso peptide modeling Bermejo, Guillermo (NIH/NIDDK) [E]
2023/09/07 Help with lasso peptide modeling Brett Covington
2023/09/01 Re: Histidine Patches for Metals; Cu Charles Schwieters
2023/08/31 Histidine Patches for Metals; Cu Kelly, Mark
2023/08/02 Re: ATCUN with Ni2+? Bermejo, Guillermo (NIH/NIDDK) [E]
2023/08/02 ATCUN with Ni2+? Alex Greenwood
2023/07/17 Re: VanDerWaals violations and validation Bermejo, Guillermo (NIH/NIDDK) [E]
2023/07/17 VanDerWaals violations and validation Rafael Rodriguez
2023/06/15 Re: side chain carboxylic acid hydrogens (D,E) Bermejo, Guillermo (NIH/NIDDK) [E]
2023/06/15 side chain carboxylic acid hydrogens (D,E) Chen, Julian C
2023/05/30 Re: Dihedral violations Charles Schwieters
2023/05/30 Dihedral violations Rafael Rodriguez
2023/05/18 Re: Error on download page for Xplor-NIH Charles Schwieters
2023/05/18 Error on download page for Xplor-NIH Brian Fuglestad
2023/05/08 Re: NCS for amyloid structure Charles Schwieters
2023/05/08 NCS for amyloid structure Chengming He
2023/03/30 Re: Explicit solvent in XPLOR Charles Schwieters
2023/03/30 Explicit solvent in XPLOR Rafael Rodriguez
2023/03/29 Re: Script Adaptation Charles Schwieters
2023/03/29 Script Adaptation Luca Sauser
2023/02/15 Re: histidine xplor nih calculation Charles Schwieters
2023/02/15 histidine xplor nih calculation Zhiyu Jeff Sun
2023/01/17 Re: Commercial license Charles Schwieters
2023/01/16 Commercial license Mario Schleep
2022/12/20 Re: How can I unpack the files without connection with internet? Charles Schwieters
2022/12/20 Re: How can I unpack the files without connection with internet? Saso, Arata
2022/12/20 Re: 3.6 M1 download broken link Charles Schwieters
2022/12/20 3.6 M1 download broken link Gary Thompson
2022/12/20 Re: How can I unpack the files without connection with internet? Charles Schwieters
2022/12/19 Re: How can I unpack the files without connection with internet? Charles Schwieters
2022/12/18 How can I unpack the files without connection with internet? Saso, Arata
2022/12/15 Re: Unable to unpack xplor-nih-3.X-Linux_x86_64.old.tar.gz ; X=4,5,6 Saso, Arata
2022/12/15 Re: Unable to unpack xplor-nih-3.X-Linux_x86_64.old.tar.gz ; X=4,5,6 Charles Schwieters
2022/12/14 Unable to unpack xplor-nih-3.X-Linux_x86_64.old.tar.gz ; X=4,5,6 Saso, Arata
2022/12/01 Re: Structure refinement with PCS Charles Schwieters
2022/12/01 Structure refinement with PCS Adedolapo Ojoawo
2022/12/01 Re: How to get .out files (the xplor running script) when running .py files in Xplor-NIH 3.6 ? And How to import xplor into Juputer-notebook? Charles Schwieters
2022/08/11 Re: How to generate distance values for NOE restraints? Charles Schwieters
2022/08/11 How to generate distance values for NOE restraints? Chris Lee
2022/08/11 Re: memory footprint Charles Schwieters
2022/08/11 memory footprint Weatherby,Gerard
2022/07/06 Re: Segmentation Fault error Charles Schwieters
2022/07/06 Re: Segmentation Fault error Weatherby,Gerard
2022/07/05 Re: Segmentation Fault error Cristian E.
2022/07/05 Re: Segmentation Fault error Scott Robson
2022/07/05 Segmentation Fault error Cristian E.
2022/05/12 Re: N-terminus acylation Bermejo, Guillermo (NIH/NIDDK) [E]
2022/05/12 N-terminus acylation Lucas Raposo Carvalho
2022/05/03 Re: Multiple PCS with different tensors Bermejo, Guillermo (NIH/NIDDK) [E]
2022/05/03 Re: Multiple PCS with different tensors Ananya Mukundan
2022/04/29 Re: Structure refinement by PCSs Bermejo, Guillermo (NIH/NIDDK) [E]
2022/04/29 Multiple PCS with different tensors Bermejo, Guillermo (NIH/NIDDK) [E]
2022/04/29 test Bermejo, Guillermo (NIH/NIDDK) [E]
2022/04/28 Structure refinement by PCSs Wenkai Zhu
2022/04/27 Re: Bad request Charles Schwieters
2022/04/26 Re: Water refinement of Cyana structures Charles Schwieters
2022/04/26 Water refinement of Cyana structures Mark Bostock
2022/04/21 Re: Hydrogen bond constraint Charles Schwieters
2022/04/20 Hydrogen bond constraint 于璐璐
2022/03/14 Re: question Charles Schwieters
2022/03/12 question David Fry
2021/12/08 Re: impropers deviations in statistics Charles Schwieters
2021/12/07 impropers deviations in statistics Vasyl Bondarenko
2021/09/20 Re: XPLOR sturcture calculation of a symmetric homodimer Charles Schwieters
2021/09/19 XPLOR sturcture calculation of a symmetric homodimer Yoav Shamir
2021/09/10 Re: how to calculate x-ray scattering curves for ensemble against experiment Zhonghe Xu
2021/09/09 Re: how to calculate x-ray scattering curves for ensemble against experiment Charles Schwieters
2021/09/09 how to calculate x-ray scattering curves for ensemble against experiment zhonghe xu
2021/09/06 Re: generate psf for biopolymers with cluster of monatomic molecules Charles Schwieters
2021/09/06 Re: generate psf for biopolymers with cluster of monatomic molecules zhonghe xu
2021/09/03 Re: generate psf for biopolymers with cluster of monatomic molecules Charles Schwieters
2021/09/03 generate psf for biopolymers with cluster of monatomic molecules zhonghe xu
2021/08/30 Re: Amino acid with prosthetic group Charles Schwieters
2021/08/30 Amino acid with prosthetic group Lee, Woonghee
2021/08/17 Re: disulfide bonds Irina Nesmelova
2021/08/17 Re: disulfide bonds Charles Schwieters
2021/08/16 disulfide bonds Irina Nesmelova

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