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/
____________________________________________




More information about the Bio-soft mailing list