Dear Pascal,
We are currently working on a PyNMR module for PyMOL. Currently, it can
load distance and dihedral constraints (CNS format only for the moment,
CYANA format to come later). The module helps loading NMR structures
(either in one file, or in multiple files), can read dihedral and
distance constraints, can output a list of violations, and display the
violations onto the NMR structures. Additional functionality to come later.
As I said, it is currently under development, and still needs to be
tested before "official" release. But if you (or others) are interested
in trying it, just let us know.
Cheers,
Stéphane
=================================================
Stéphane M. Gagné, Ph.D.
Professeur, biochimie et CREFSIP
3255 pavillon Marchand
Université Laval, Québec, Canada G1K 7P4
Téléphone (bureau): (418) 656-7860
Téléphone (labo): (418) 656-2131, poste 4530
Télécopieur (Fax): (418) 656-7176
courrier électronique: sga...@rsvs.ulaval.ca
=================================================
demange wrote, On 02/11/05 04:59:
Dear All,
Does anyone known if a pymol macro exit to analyse easily the contraint
files issued from nmr data and used to calculate a structure with CNS ????
Cheers,
Pascal
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