int -> pdb conversion
islam
islam at icrf.icnet.uk
Mon Jul 13 08:47:44 EST 1998
I have a program which can read a variety of formats to generate
coordinates from torsion angles. The program is called joiner
and is available at present for Silicon Graphics machines.
Input examples are:
# example 1: H sets phi,psi angle into alpha-helix format
RES PHE H
RES PHE H
RES PHE H
RES ALA H
RES PHE H
RES PHE H
RES ALA H
RES LYS H
RES ARG H
# example 2: more complicated example. add hydrogens, specific
# chain,residue lables and in extended format etc.
HYD
chain
RES GLY 180.0 180.0
chain b
RES ARG 180.0 180.0
RES ARG 180.0 180.0
chain c
RES ARG 180.0 180.0
RESd 12 ARG 180.0 180.0
RESd 45b ARG 180.0 180.0
# example 3: define tors explicitely
TIT Test amino acid generation sequence
RES GLY -135.,140.,
RES ILE -135.,140.,180.,180.,180.0
RES ARG -135.,140.,180.,180.,180.0,180.,180.
RES ILE -135.,140.,179.,179.,179.0
RES ASP -135.,140.,178.,178.,178.0
RES ILE -135.,140.,177.,177.,177.0
RES MET -135.,140.,176.,176.,176.0
RESD 8B MET -135.,140.,176.,176.,176.0
If you are interested in program please mail me.
____________________________________________
Suhail A Islam
Biomolecular Modelling Laboratory
Imperial Cancer Research Fund, P.O. Box 123
44 Lincoln's Inn Fields, London WC2A 3PX
Tel: (0171) 269 3380
Fax: (0171) 269 3258
email: islam at icrf.icnet.uk
http://www.icnet.uk/bmm/
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