Messages by Date
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2007/08/14
[Xplor-nih] Structure refinement in explicit solvent
John Kuszewski
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2007/08/14
[Xplor-nih] Structure refinement in explicit solvent
Clemens C. Heikaus
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2007/08/14
[Xplor-nih] SA with backbone j-coupling restraints
Andrew Borgert
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2007/08/10
[Xplor-nih] ANI atoms after structure calculation
Marco Roeben
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2007/08/09
[Xplor-nih] Histidine
[email protected]
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2007/08/09
[Xplor-nih] Histidine
Mueller, Geoffrey (NIH/NIEHS)
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2007/08/09
[Xplor-nih] ANI atoms after structure calculation
[email protected]
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2007/08/09
[Xplor-nih] ANI atoms after structure calculation
Marco Roeben
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2007/08/08
[Xplor-nih] marvin losing peaks
John Kuszewski
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2007/08/08
[Xplor-nih] marvin losing peaks
gary thompson
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2007/08/07
[Xplor-nih] NDSMAX (CNST.FCM) exceeded
[email protected]
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2007/08/07
[Xplor-nih] NDSMAX (CNST.FCM) exceeded
Raik Gruenberg
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2007/08/03
[Xplor-nih] Installation problems
[email protected]
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2007/08/03
[Xplor-nih] Installation problems
S W Simon Sham
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2007/08/01
[Xplor-nih] [email protected]: Re: Ambiquous dihedral restraints
[email protected]
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2007/08/01
[Xplor-nih] Query regarding Scaling dipolar coupling relative to NH coupling
[email protected]
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2007/08/01
[Xplor-nih] Ambiquous dihedral restraints
Ioannis Vakonakis
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2007/08/01
[Xplor-nih] Query regarding Scaling dipolar coupling relative to NH coupling
Marco Roeben
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2007/08/01
[Xplor-nih] Query regarding Scaling dipolar coupling relative to NH coupling
Arun Prasad
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2007/07/31
[Xplor-nih] error opening NOE file with vmd-xplor
[email protected]
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2007/07/31
[Xplor-nih] error opening NOE file with vmd-xplor
Marco Roeben
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2007/07/25
[Xplor-nih] structure refinement in explicit solvent like water
[email protected]
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2007/07/24
[Xplor-nih] structure refinement in explicit solvent like water
[email protected]
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2007/07/24
[Xplor-nih] structure refinement in explicit solvent like water
Martin Allan
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2007/07/20
[Xplor-nih] implementing the two types of parallelism
[email protected]
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2007/07/20
[Xplor-nih] Angles as restraints
[email protected]
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2007/07/20
[Xplor-nih] implementing the two types of parallelism
RMB Hoffman
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2007/07/17
[Xplor-nih] Angles as restraints
R.M. van der Werf
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2007/07/16
[Xplor-nih] RDC back calculation
[email protected]
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2007/07/15
[Xplor-nih] RDC back calculation
Shi,Lei
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2007/07/11
[Xplor-nih] VMD-XPLOR
[email protected]
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2007/07/11
[Xplor-nih] Xplor-nih Digest, Vol 53, Issue 7
Shi,Lei
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2007/07/11
[Xplor-nih] annealing with ambiguous restraints
[email protected]
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2007/07/11
[Xplor-nih] VMD-XPLOR
Marcela Madrid
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2007/07/11
[Xplor-nih] annealing with ambiguous restraints
Leao Lagarto
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2007/07/10
[Xplor-nih] A basic query regarding RDC calculation.
[email protected]
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2007/07/10
[Xplor-nih] A basic query regarding RDC calculation.
Arun Prasad
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2007/07/09
[Xplor-nih] Query regarding Molecular principal axis.
[email protected]
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2007/07/08
[Xplor-nih] Query regarding Molecular principal axis.
Arun Prasad
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2007/07/05
[Xplor-nih] RNA-DNA Hybrid
John Kuszewski
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2007/07/05
[Xplor-nih] RNA-DNA Hybrid
[email protected]
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2007/07/05
[Xplor-nih] HBDB and segments
Ioannis Vakonakis
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2007/07/05
[Xplor-nih] HBDB and segments
[email protected]
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2007/07/04
[Xplor-nih] HBDB and segments
Ioannis Vakonakis
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2007/07/03
[Xplor-nih] Torsion angle dynamics
[email protected]
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2007/07/03
[Xplor-nih] Torsion angle dynamics
Lei Shi
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2007/07/02
[Xplor-nih] RNA-DNA Hybrid
John Kuszewski
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2007/07/02
[Xplor-nih] RNA-DNA Hybrid
[email protected]
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2007/06/26
[Xplor-nih] Fe vdW radius
[email protected]
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2007/06/26
[Xplor-nih] Fe vdW radius
Dan Fishelovitch
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2007/06/25
[Xplor-nih] Fe vdW radius
[email protected]
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2007/06/25
[Xplor-nih] Fe vdW radius
Dan Fishelovitch
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2007/06/22
[Xplor-nih] Query regarding RDC potential functions
Arun Prasad
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2007/06/21
[Xplor-nih] Xplor-nih Digest, Vol 52, Issue 12
John Kuszewski
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2007/06/21
[Xplor-nih] Distance geometry output
John Kuszewski
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2007/06/20
[Xplor-nih] error message
Marco Roeben
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2007/06/19
[Xplor-nih] Distance geometry output
KWAN,JASON C
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2007/06/19
[Xplor-nih] error message
[email protected]
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2007/06/18
[Xplor-nih] error message
Marco Roeben
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2007/06/18
[Xplor-nih] [Fwd: Re: nmrDraw peak file format]
Gary S. Thompson
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2007/06/18
[Xplor-nih] Xplor-nih Digest, Vol 52, Issue 12
Gary S. Thompson
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2007/06/16
[Xplor-nih] Ligand docking with Hbuild
[email protected]
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2007/06/15
[Xplor-nih] error message
John Kuszewski
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2007/06/15
[Xplor-nih] marvin
John Kuszewski
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2007/06/15
[Xplor-nih] error message
[email protected]
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2007/06/15
[Xplor-nih] marvin
Gary S. Thompson
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2007/06/15
[Xplor-nih] marvin
Gary S. Thompson
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2007/06/15
[Xplor-nih] error message
Marco Roeben
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2007/06/14
[Xplor-nih] Ligand docking with Hbuild
Clemens C Heikaus
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2007/06/14
[Xplor-nih] average structure
[email protected]
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2007/06/14
[Xplor-nih] average structure
Xiaohu Peng
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2007/06/13
[Xplor-nih] marvin
John Kuszewski
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2007/06/12
[Xplor-nih] how to get shift lists
Gary S. Thompson
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2007/06/11
[Xplor-nih] marvin
gary thompson
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2007/06/11
[Xplor-nih] marvin
gary thompson
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2007/06/07
[Xplor-nih] XPLOR covar analysis
[email protected]
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2007/06/07
[Xplor-nih] XPLOR covar analysis
Dan Fishelovitch
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2007/06/06
[Xplor-nih] How do I interpret the calculation result
[email protected]
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2007/06/05
[Xplor-nih] How do I interpret the calculation result
Xiaohu Peng
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2007/06/05
[Xplor-nih] comprehension problem in anneal.py source code
[email protected]
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2007/06/05
[Xplor-nih] comprehension problem in anneal.py source code
Marco Roeben
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2007/06/04
[Xplor-nih] [email protected]
[email protected]
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2007/06/04
[Xplor-nih] [email protected]
Shi,Lei
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2007/06/04
[Xplor-nih] how to use both cpu on a dual core processor
[email protected]
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2007/06/04
[Xplor-nih] how to use both cpu on a dual core processor
Marco Roeben
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2007/06/01
[Xplor-nih] "good" strucutre?
[email protected]
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2007/05/31
[Xplor-nih] pdb2psf for non-protein / non-dna
[email protected]
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2007/05/31
[Xplor-nih] "good" strucutre?
Xiaohu Peng
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2007/05/31
[Xplor-nih] pdb2psf for non-protein / non-dna
Feldkamp, Joe
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2007/05/18
[Xplor-nih] vdw violations
[email protected]
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2007/05/18
[Xplor-nih] vdw violations
Lei Shi
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2007/05/17
[Xplor-nih] Xplor-nih Digest, Vol 51, Issue 10
Gary S. Thompson
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2007/05/15
[Xplor-nih] marvin example scripts
John Kuszewski
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2007/05/15
[Xplor-nih] sge
[email protected]
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2007/05/15
[Xplor-nih] sge
Gary S. Thompson
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2007/05/15
[Xplor-nih] sge
[email protected]
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2007/05/15
[Xplor-nih] sge
Gary S. Thompson
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2007/05/15
[Xplor-nih] marvin example scripts
Gary S. Thompson
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2007/05/14
[Xplor-nih] help with anneal.py
[email protected]
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2007/05/12
[Xplor-nih] Help: VDW violations in Xplor-nih
Lei Shi
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2007/05/12
[Xplor-nih] adding ions to my structure -- three questions
[email protected]
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2007/05/11
[Xplor-nih] adding ions to my structure -- three questions
RMB Hoffman
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2007/05/09
[Xplor-nih] Problems with maintaining ligand planarity
[email protected]
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2007/05/09
[Xplor-nih] Problems with maintaining ligand planarity
[email protected]
-
2007/05/09
[Xplor-nih] Torsion angle dynamics
[email protected]
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2007/05/09
[Xplor-nih] Problems with maintaining ligand planarity
Andreas Ceymann
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2007/05/08
[Xplor-nih] Torsion angle dynamics
Lei Shi
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2007/05/08
[Xplor-nih] NAG in protein models
Ioannis Vakonakis
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2007/05/08
[Xplor-nih] NAG in protein models
[email protected]
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2007/05/07
[Xplor-nih] Problems with maintaining ligand planarity
[email protected]
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2007/05/07
[Xplor-nih] Problems with maintaining ligand planarity
RMB Hoffman
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2007/05/06
[Xplor-nih] NAG in protein models
Ioannis Vakonakis
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2007/05/04
[Xplor-nih] Xplor-nih Digest, Vol 51, Issue 1
Lei Shi
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2007/05/04
[Xplor-nih] Ramachandran plot
John Kuszewski
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2007/05/04
[Xplor-nih] Ramachandran plot
kunal bakshi
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2007/04/28
[Xplor-nih] Small molecules with XPLOR-NIH
[email protected]
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2007/04/28
[Xplor-nih] Small molecules with XPLOR-NIH
Tom Anderson
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2007/04/24
[Xplor-nih] how to build a symmetric oligomer
[email protected]
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2007/04/23
[Xplor-nih] alignment tensor
[email protected]
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2007/04/23
[Xplor-nih] how to build a symmetric oligomer
Lei Shi
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2007/04/23
[Xplor-nih] alignment tensor
Irina Nesmelova
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2007/04/23
[Xplor-nih] alignment tensor
[email protected]
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2007/04/23
[Xplor-nih] alignment tensor
Irina Nesmelova
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2007/04/18
[Xplor-nih] Left handed residue in Ramachandran
John Kuszewski
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2007/04/18
[Xplor-nih] Left handed residue in Ramachandran
Shi,Lei
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2007/04/18
[Xplor-nih] Metal-cluster
[email protected]
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2007/04/18
[Xplor-nih] Metal-cluster
Hongyan Li
-
2007/04/17
[Xplor-nih] Metal-cluster
[email protected]
-
2007/04/16
[Xplor-nih] Metal-cluster
Hongyan Li
-
2007/04/16
[Xplor-nih] Metal-cluster
[email protected]
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2007/04/15
[Xplor-nih] Metal-cluster
Hongyan Li
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2007/04/14
[Xplor-nih] Metal-cluster
[email protected]
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2007/04/13
[Xplor-nih] alignment tensor
[email protected]
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2007/04/13
[Xplor-nih] RedHat 9.0
[email protected]
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2007/04/12
[Xplor-nih] Metal-cluster
Hongyan Li
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2007/04/12
[Xplor-nih] alignment tensor
Irina Nesmelova
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2007/04/12
[Xplor-nih] RedHat 9.0
Michael Hodsdon
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2007/04/11
[Xplor-nih] (no subject)
Udayar Ilangovan
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2007/04/10
[Xplor-nih] anneal.py script
Hongyan Li
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2007/04/10
[Xplor-nih] anneal.py script
[email protected]
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2007/04/06
[Xplor-nih] [email protected]: Re: anneal.py script
[email protected]
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2007/04/05
[Xplor-nih] anneal.py script
Hongyan Li
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2007/04/03
[Xplor-nih] noe select in vmd-xplor
[email protected]
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2007/04/03
[Xplor-nih] installation on RedHat 9
Michael Hodsdon
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2007/04/02
[Xplor-nih] anneal.py script
Hongyan Li
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2007/04/02
[Xplor-nih] nmrstar to xplornih
John Kuszewski
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2007/04/02
[Xplor-nih] nmrstar to xplornih
Jeff Ellena
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2007/04/02
[Xplor-nih] noe select in vmd-xplor
andrea spitaleri
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2007/04/01
[Xplor-nih] noe select in vmd-xplor
[email protected]
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2007/03/30
[Xplor-nih] [email protected]: Re: update on NOE problem
[email protected]
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2007/03/30
[Xplor-nih] noe select in vmd-xplor
andrea spitaleri
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2007/03/30
[Xplor-nih] (no subject)
[email protected]
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2007/03/30
[Xplor-nih] Installation errors on apple G5
[email protected]
-
2007/03/29
[Xplor-nih] (no subject)
Hongyan Li
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2007/03/29
[Xplor-nih] Installation errors on apple G5
[email protected]
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2007/03/24
[Xplor-nih] update on NOE problem
Michael Hodsdon
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2007/03/24
[Xplor-nih] Torsion potential in other solvents
Léon Salgado
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2007/03/23
[Xplor-nih] Torsion potential in other solvents
John Kuszewski
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2007/03/23
[Xplor-nih] Torsion potential in other solvents
Léon Salgado
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2007/03/20
[Xplor-nih] grid_search.inp
[email protected]
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2007/03/19
[Xplor-nih] grid_search.inp
Hongyan Li
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2007/03/19
[Xplor-nih] Torsion potential in other solvents
[email protected]
-
2007/03/19
[Xplor-nih] xplor-NIH refine.py
[email protected]
-
2007/03/19
[Xplor-nih] request for some help
[email protected]
-
2007/03/19
[Xplor-nih] request for some help
Marius Clore
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2007/03/19
[Xplor-nih] Xplor-nih Digest, Vol 49, Issue 9
R.M. van der Werf
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2007/03/18
[Xplor-nih] xplor-NIH refine.py
Hongyan Li
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2007/03/18
[Xplor-nih] request for some help
Michael Hodsdon
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2007/03/17
[Xplor-nih] Torsion potential in other solvents
Léon Salgado
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2007/03/14
[Xplor-nih] xplor-nih trajectories
[email protected]
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2007/03/14
[Xplor-nih] xplor-nih trajectories
David A. Horita
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2007/03/12
[Xplor-nih] problem with refine.py
Hongyan Li
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2007/03/12
[Xplor-nih] Python output
wzhang14
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2007/03/11
[Xplor-nih] problem with refine.py
Hongyan Li
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2007/03/11
[Xplor-nih] problem with refine.py
Hongyan Li
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2007/03/09
[Xplor-nih] problem with refine.py
[email protected]
-
2007/03/09
[Xplor-nih] refine.py and anneal.py etc.
[email protected]
-
2007/03/08
[Xplor-nih] problem with refine.py
Hongyan Li
-
2007/03/07
[Xplor-nih] refine.py and anneal.py etc.
Hongyan Li
-
2007/03/06
[Xplor-nih] Metal cluster
Hongyan Li
-
2007/03/06
[Xplor-nih] Metal cluster
[email protected]
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2007/03/06
[Xplor-nih] Metal cluster
Hongyan Li
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2007/02/27
[Xplor-nih] installtion OS (linux)
김소연
-
2007/02/27
[Xplor-nih] xplor backward compatibility
[email protected]
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2007/02/27
[Xplor-nih] xplor backward compatibility
Gregoire Masliah
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2007/02/26
[Xplor-nih] How can I obtain a theoretical NOESY
J.I. Miranda
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2007/02/26
[Xplor-nih] Problems constraining a guanine residue to syn conformation
[email protected]
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2007/02/23
[Xplor-nih] Problems constraining a guanine residue to syn conformation
[email protected]
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2007/02/20
[Xplor-nih] Problems constraining a guanine residue to syn conformation
John Kuszewski
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2007/02/20
[Xplor-nih] Problems constraining a guanine residue to syn conformation
[email protected]
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2007/02/20
[Xplor-nih] Nature Network Biomolecular NMR
Michael Durney
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2007/02/13
[Xplor-nih] How can I obtain a theoretical NOESY
[email protected]
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2007/02/12
[Xplor-nih] How can I obtain a theoretical NOESY
J.I. Miranda
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2007/02/12
[Xplor-nih] Max No of noe restraints
[email protected]
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2007/02/12
[Xplor-nih] Max No of noe restraints
Franz Hagn
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2007/02/08
[Xplor-nih] Topology for nucleic acids
[email protected]
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2007/02/08
[Xplor-nih] Topology for nucleic acids
R.M. van der Werf
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2007/02/07
[Xplor-nih] reading data from nmrpipe and talos
John Kuszewski
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2007/02/07
[Xplor-nih] Query: Problem with PSF generation from PDB file!
[email protected]
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2007/02/07
[Xplor-nih] Query: Problem with PSF generation from PDB file!
Chitra Narayanan