Messages by Date
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2009/02/24
Re: [Xplor-nih] Ensemble calculation without experimental restraints
Jie-rong Huang
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2009/02/24
Re: [Xplor-nih] Ensemble calculation without experimental restraints
Charles
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2009/02/23
Re: [Xplor-nih] Ensemble calculation without experimental restraints
Jie-rong Huang
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2009/02/23
Re: [Xplor-nih] Ensemble calculation without experimental restraints
Charles
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2009/02/23
[Xplor-nih] Ensemble calculation without experimental restraints
Jie-rong Huang
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2009/02/16
Re: [Xplor-nih] refinement after manual dock of protein-RNA complex
Charles
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2009/02/15
Re: [Xplor-nih] generate PSF from incomplete PDB
Pooja Jain
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2009/02/15
[Xplor-nih] refinement after manual dock of protein-RNA complex
Jinzhong Lin
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2009/02/12
Re: [Xplor-nih] pasd
Jeff Ellena
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2009/02/12
Re: [Xplor-nih] pasd
John Kuszewski
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2009/02/12
Re: [Xplor-nih] pasd
Jeff Ellena
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2009/02/12
[Xplor-nih] beginners examples
Miguel Fernández Oliva
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2009/02/11
Re: [Xplor-nih] pasd
John Kuszewski
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2009/02/11
[Xplor-nih] generate PSF from incomplete PDB
Andrea Berry
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2009/02/11
[Xplor-nih] pasd
Jeff Ellena
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2009/02/10
Re: [Xplor-nih] energy minimization and planeDist
Charles
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2009/02/10
[Xplor-nih] energy minimization and planeDist
Jeff Ellena
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2009/02/04
Re: [Xplor-nih] using aveStruct.py with MTSL
Charles
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2009/02/04
[Xplor-nih] using aveStruct.py with MTSL
Jeff Ellena
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2009/02/02
Re: [Xplor-nih] force constants
Charles
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2009/02/02
Re: [Xplor-nih] force constants
Charles
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2009/01/31
[Xplor-nih] force constants
David A. Horita
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2009/01/27
[Xplor-nih] Rosetta Academic Training Workshop
Nir London
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2009/01/21
Re: [Xplor-nih] installation problem
Charles
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2009/01/21
Re: [Xplor-nih] about noe display in vmd-xplor
Charles
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2009/01/17
Re: [Xplor-nih] noe calc: unit?
Charles
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2009/01/16
[Xplor-nih] installation problem
Spitaleri Andrea
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2009/01/16
[Xplor-nih] about noe display in vmd-xplor
cdliu
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2009/01/15
[Xplor-nih] Group and Fix
Andrew Severin
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2009/01/14
Re: [Xplor-nih] Xplor-nih Digest, Vol 71, Issue 3
R . vanderWerf
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2009/01/14
Re: [Xplor-nih] Fix and group
Charles
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2009/01/14
[Xplor-nih] noe calc: unit?
Spitaleri Andrea
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2009/01/14
[Xplor-nih] Fix and group
Andrew Severin
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2009/01/09
Re: [Xplor-nih] proton shift refinement
Charles
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2009/01/08
[Xplor-nih] proton shift refinement
David A. Horita
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2009/01/07
Re: [Xplor-nih] seq2psf errors
Charles
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2009/01/07
Re: [Xplor-nih] seq2psf errors
Charles
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2009/01/07
[Xplor-nih] seq2psf errors
Sanaz Dovell
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2008/12/16
Re: [Xplor-nih] modifying scale of some but not all dihedral restraints at runtime
Charles
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2008/12/15
[Xplor-nih] modifying scale of some but not all dihedral restraints at runtime
Martin Allan
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2008/11/28
Re: [Xplor-nih] querry
Charles
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2008/11/24
Re: [Xplor-nih] Different Version of Xplor Resulting In Different Simulations?
Charles
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2008/11/19
[Xplor-nih] position available
Charles
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2008/11/17
Re: [Xplor-nih] proton nomenclature
Duggan, Brendan M.
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2008/11/14
Re: [Xplor-nih] proton nomenclature
Charles
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2008/11/14
[Xplor-nih] proton nomenclature
Duggan, Brendan M.
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2008/11/13
Re: [Xplor-nih] Calling ensemble for calculation
Charles
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2008/11/13
Re: [Xplor-nih] XPLOR NIH
Charles
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2008/11/13
Re: [Xplor-nih] Different Version of Xplor Resulting In Different Simulations?
Charles
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2008/11/12
Re: [Xplor-nih] Calling ensemble for calculation
Charles
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2008/11/12
Re: [Xplor-nih] Different Version of Xplor Resulting In Different Simulations?
Charles
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2008/11/12
Re: [Xplor-nih] Calling ensemble for calculation
Jie-rong Huang
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2008/11/12
Re: [Xplor-nih] Calling ensemble for calculation
Charles
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2008/11/12
Re: [Xplor-nih] Fwd: Multiple domain orientation
Charles
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2008/11/11
[Xplor-nih] Different Version of Xplor Resulting In Different Simulations?
shixx036
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2008/11/11
Re: [Xplor-nih] Calling ensemble for calculation
Jie-rong Huang
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2008/11/10
[Xplor-nih] Fwd: Multiple domain orientation
Andrew Severin
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2008/11/06
Re: [Xplor-nih] Calling ensemble for calculation
Charles
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2008/11/06
[Xplor-nih] Calling ensemble for calculation
Jie-rong Huang
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2008/11/05
Re: [Xplor-nih] patch problem - two segments?
Charles
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2008/11/04
Re: [Xplor-nih] patch problem - two segments?
Jakob Toudahl Nielsen
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2008/11/04
Re: [Xplor-nih] patch problem - two segments?
Charles
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2008/11/04
[Xplor-nih] patch problem - two segments?
Jakob Toudahl Nielsen
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2008/11/03
Re: [Xplor-nih] problem about noe2xplor.py
Charles
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2008/11/03
[Xplor-nih] problem about noe2xplor.py
Yuan Zhang
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2008/10/27
Re: [Xplor-nih] Imposing NCS term in Xplor for energy minimization
Charles
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2008/10/26
[Xplor-nih] Imposing NCS term in Xplor for energy minimization
Hao Huang
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2008/10/21
Re: [Xplor-nih] refine_gentle in XplorPy?
Charles
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2008/10/21
Re: [Xplor-nih] refine_gentle in XplorPy?
Mark Girvin
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2008/10/21
Re: [Xplor-nih] refine_gentle in XplorPy?
Charles
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2008/10/20
[Xplor-nih] refine_gentle in XplorPy?
Mark Girvin
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2008/10/20
Re: [Xplor-nih] xplor-nih status
Charles
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2008/10/20
[Xplor-nih] mailing list downtime
Charles
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2008/10/10
[Xplor-nih] (!) This Saturday: North Eastern Structure Symposium - Computational Approaches to Structural Biology
Gregory Choi
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2008/10/10
Re: [Xplor-nih] HBDB, python interface
Charles
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2008/10/10
[Xplor-nih] HBDB, python interface
Justin Lorieau
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2008/10/09
Re: [Xplor-nih] pasd
Charles
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2008/10/09
[Xplor-nih] pasd
David A. Horita
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2008/10/08
Re: [Xplor-nih] generate carbohydrate
Charles
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2008/10/08
[Xplor-nih] generate carbohydrate
Irina Nesmelova
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2008/09/28
Re: [Xplor-nih] calculating dihedral angles of conformations and clustering
Charles
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2008/09/26
[Xplor-nih] calculating dihedral angles of conformations and clustering
Nah Sivar
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2008/09/25
Re: [Xplor-nih] pdbTool and CYSP
Charles
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2008/09/24
[Xplor-nih] pdbTool and CYSP
Jeff Ellena
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2008/09/24
[Xplor-nih] Register by Friday: North Eastern Structure Symposium - Computational Approaches to Structural Biology
Gregory Choi
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2008/09/22
Re: [Xplor-nih] patch-err when using seq2psf with HYP residue added
Charles
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2008/09/22
[Xplor-nih] patch-err when using seq2psf with HYP residue added
pflueger
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2008/09/17
Re: [Xplor-nih] visualize plane
Charles
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2008/09/16
[Xplor-nih] visualize plane
Jeff Ellena
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2008/09/16
Re: [Xplor-nih] PASD
Charles
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2008/09/16
Re: [Xplor-nih] NOE restraints in a multimer
Thomas Pochapsky
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2008/09/14
Re: [Xplor-nih] NOE restraints in a multimer (Thomas Pochapsky)
John Vakonakis
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2008/09/13
Re: [Xplor-nih] COLLapse term for homodimer
John Kuszewski
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2008/09/13
Re: [Xplor-nih] NOE restraints in a multimer
John Kuszewski
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2008/09/12
[Xplor-nih] NOE restraints in a multimer
Thomas Pochapsky
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2008/09/11
Re: [Xplor-nih] COLLapse term for homodimer
Charles
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2008/09/11
[Xplor-nih] COLLapse term for homodimer
Ramelot, Theresa A. Dr.
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2008/09/11
[Xplor-nih] COLLapse term for homodimer
Ramelot, Theresa A. Dr.
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2008/09/10
Re: [Xplor-nih] Error on no atom spec when reading the NOE file
Charles
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2008/09/10
[Xplor-nih] Error on no atom spec when reading the NOE file
Yang, Thao
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2008/09/05
Re: [Xplor-nih] how to restart an IVM torsional angle dynamics
Charles
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2008/09/05
Re: [Xplor-nih] planeDistPot
Charles
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2008/09/05
[Xplor-nih] planeDistPot
Jeff Ellena
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2008/09/03
Re: [Xplor-nih] how to restart an IVM torsional angle dynamics
Yi Xue
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2008/09/03
Re: [Xplor-nih] how to restart an IVM torsional angle dynamics
Charles
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2008/09/02
[Xplor-nih] how to restart an IVM torsional angle dynamics
Yi Xue
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2008/08/28
Re: [Xplor-nih] point-plane restraints
Charles
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2008/08/28
[Xplor-nih] point-plane restraints
Jeff Ellena
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2008/08/27
Re: [Xplor-nih] psf and pdb files
Charles
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2008/08/27
[Xplor-nih] psf and pdb files
Jeff Ellena
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2008/08/26
Re: [Xplor-nih] Question on "no peptide bond is shown"
Charles
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2008/08/26
Re: [Xplor-nih] Question on "no peptide bond is shown"
Charles
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2008/08/24
Re: [Xplor-nih] Xplor-nih Digest, Vol 66, Issue 5
R . vanderWerf
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2008/08/23
Re: [Xplor-nih] Question on "no peptide bond is shown"
Charles
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2008/08/22
[Xplor-nih] Question on "no peptide bond is shown"
Yang, Thao
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2008/08/21
Re: [Xplor-nih] multiple structures in same xplor instance
Charles
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2008/08/14
[Xplor-nih] multiple structures in same xplor instance
Benjamin Stauch
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2008/08/13
Re: [Xplor-nih] custom energy functions
Charles
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2008/08/13
[Xplor-nih] custom energy functions
Benjamin Stauch
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2008/08/13
Re: [Xplor-nih] Empty conformations - frename: failed to rename
Charles
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2008/08/12
[Xplor-nih] Empty conformations - frename: failed to rename
Pooja Jain
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2008/08/07
Re: [Xplor-nih] Rhom hitting upper and lower limits during RDC refinement
Charles
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2008/08/07
[Xplor-nih] Rhom hitting upper and lower limits during RDC refinement
Andrew Borgert
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2008/07/30
Re: [Xplor-nih] Variable Name Instead of Variable Content
Charles
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2008/07/30
Re: [Xplor-nih] Variable Name Instead of Variable Content
John Kuszewski
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2008/07/30
[Xplor-nih] Variable Name Instead of Variable Content
Pooja Jain
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2008/07/25
Re: [Xplor-nih] too much temporary file use in xplor-nih
Charles
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2008/07/25
[Xplor-nih] too much temporary file use in xplor-nih
Zdenek Salvet
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2008/07/23
Re: [Xplor-nih] order.py example questions
Charles
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2008/07/23
[Xplor-nih] order.py example questions
Giachetti Andrea - CERM
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2008/07/15
Re: [Xplor-nih] improper and dihedral values for cis-proline
John Kuszewski
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2008/07/15
[Xplor-nih] improper and dihedral values for cis-proline
Christoph Schmidt
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2008/07/11
Re: [Xplor-nih] Small-molecule generation for X-plor-NIH
Martin Stoermer
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2008/07/11
Re: [Xplor-nih] Installation
Charles
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2008/07/11
[Xplor-nih] Installation
Justin Lecher
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2008/07/11
Re: [Xplor-nih] cis proline cipp patch
Charles
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2008/07/11
[Xplor-nih] cis proline cipp patch
Christoph Schmidt
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2008/07/11
Re: [Xplor-nih] Small-molecule generation for X-plor-NIH
Keith L Constantine
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2008/07/08
Re: [Xplor-nih] Xplor-nih Digest, Vol 65, Issue 2
R.M. van der Werf
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2008/07/07
Re: [Xplor-nih] Back calculation of RDC
Charles
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2008/07/07
Re: [Xplor-nih] Small-molecule generation for X-plor-NIH
John Kuszewski
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2008/07/07
Re: [Xplor-nih] Xplor-nih Digest, Vol 65, Issue 1
R . vanderWerf
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2008/07/07
[Xplor-nih] Back calculation of RDC
Prem Prakash Pathak
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2008/07/07
[Xplor-nih] Small-molecule generation for X-plor-NIH
Keith L Constantine
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2008/06/24
Re: [Xplor-nih] Dani python
Charles
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2008/06/24
[Xplor-nih] Dani python
Mueller, Geoffrey (NIH/NIEHS)
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2008/06/18
Re: [Xplor-nih] Questions about tensor calculation and C++ vs Fortran code
Charles
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2008/06/18
Re: [Xplor-nih] Questions about tensor calculation and C++ vs Fortran code
Jie-rong Huang
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2008/06/16
[Xplor-nih] [email protected]: Re: about anneal.py
Charles
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2008/06/16
Re: [Xplor-nih] Questions about tensor calculation and C++ vs Fortran code
Charles
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2008/06/16
[Xplor-nih] Questions about tensor calculation and C++ vs Fortran code
Jie-rong Huang
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2008/06/14
[Xplor-nih] about anneal.py
那美荣
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2008/06/14
[Xplor-nih] about anneal.py
那美荣
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2008/06/04
Re: [Xplor-nih] new to CNS
Charles
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2008/06/04
Re: [Xplor-nih] Ensemble calculation of denatured protein
Charles
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2008/06/04
[Xplor-nih] new to CNS
Prem Prakash Pathak
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2008/06/04
Re: [Xplor-nih] Ensemble calculation of denatured protein
Jie-rong Huang
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2008/06/03
Re: [Xplor-nih] Ensemble calculation of denatured protein
Charles
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2008/06/02
Re: [Xplor-nih] Ensemble calculation of denatured protein
Jie-rong Huang
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2008/05/30
Re: [Xplor-nih] Calculation of palindromic DNA sequencev
John Kuszewski
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2008/05/30
Re: [Xplor-nih] Calculation of palindromic DNA sequencev
Charles
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2008/05/30
Re: [Xplor-nih] Calculation of palindromic DNA sequencev
Silke Johannsen, Anorganisch-Chemisches Inst.
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2008/05/22
Re: [Xplor-nih] bond-breaking!
Charles
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2008/05/21
[Xplor-nih] bond-breaking!
David P. Giedroc
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2008/05/21
Re: [Xplor-nih] calculating Hydrogen Bonds in Structures
Charles
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2008/05/21
Re: [Xplor-nih] calculating Hydrogen Bonds in Structures
Charles
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2008/05/21
Re: [Xplor-nih] Ensemble calculation of denatured protein
Charles
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2008/05/21
Re: [Xplor-nih] Ensemble calculation of denatured protein
Jie-rong Huang
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2008/05/20
[Xplor-nih] calculating Hydrogen Bonds in Structures
Nah Sivar
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2008/05/19
Re: [Xplor-nih] Xplor-nih Digest, Vol 63, Issue 8
R.M. van der Werf
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2008/05/19
Re: [Xplor-nih] ERROR encountered on input (David P. Giedroc)
John Vakonakis
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2008/05/16
Re: [Xplor-nih] A script for solvent modelling
Charles
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2008/05/15
[Xplor-nih] A script for solvent modelling
David Langelaan
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2008/05/13
Re: [Xplor-nih] distance plot in pyXplor
Charles
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2008/05/13
[Xplor-nih] distance plot in pyXplor
Nah Sivar
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2008/05/13
Re: [Xplor-nih] parallel marvin
John Kuszewski
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2008/05/12
Re: [Xplor-nih] parallel marvin
Charles
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2008/05/12
[Xplor-nih] parallel marvin
David A. Horita
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2008/05/06
Re: [Xplor-nih] longer time taken with parallelization
Charles
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2008/05/06
Re: [Xplor-nih] longer time taken with parallelization
Nah Sivar
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2008/05/05
[Xplor-nih] [email protected]: Re: longer time taken with parallelization
Charles
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2008/05/05
Re: [Xplor-nih] PASD: converting restraints to xplor
John Kuszewski
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2008/05/05
Re: [Xplor-nih] Ensemble calculation of denatured protein
Charles
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2008/05/05
[Xplor-nih] PASD: converting restraints to xplor
Robert Schneider
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2008/04/30
Re: [Xplor-nih] Ensemble calculation of denatured protein
Marius Clore
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2008/04/30
Re: [Xplor-nih] Ensemble calculation of denatured protein
Jie-rong Huang
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2008/04/29
[Xplor-nih] [email protected]: Re: cis peptide bond
Charles
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2008/04/29
Re: [Xplor-nih] Ensemble calculation of denatured protein
Charles
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2008/04/29
Re: [Xplor-nih] Constrain the orientation angle
Charles
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2008/04/29
Re: [Xplor-nih] Ensemble calculation of denatured protein
Jie-rong Huang
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2008/04/29
Re: [Xplor-nih] PASD: netFilter in jointFilter gets stuck
Robert Schneider
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2008/04/29
[Xplor-nih] Constrain the orientation angle
Pooja Jain
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2008/04/25
Re: [Xplor-nih] PASD: netFilter in jointFilter gets stuck
John Kuszewski
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2008/04/25
Re: [Xplor-nih] Ensemble calculation of denatured protein
Charles
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2008/04/25
Re: [Xplor-nih] Ensemble calculation of denatured protein
Jie-rong Huang
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2008/04/24
[Xplor-nih] PASD: netFilter in jointFilter gets stuck
Robert Schneider
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2008/04/24
Re: [Xplor-nih] Ensemble calculation of denatured protein
Jie-rong Huang
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2008/04/24
Re: [Xplor-nih] Saving the Trajectory
Charles
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2008/04/24
[Xplor-nih] Saving the Trajectory
Nah Sivar
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2008/04/23
Re: [Xplor-nih] Ensemble calculation of denatured protein
Charles