Andrew Martin (martin at bsm.bioc.ucl.ac.uk) wrote:
: Charlie Bond (mbdsccb) wrote:
: : Hi all,
: : Does anybody out there have a script of some sort for obtaining phi-psi
: : values from a PDB file. If you do could you mail it to me, otherwise I'll
: : probably have to set up for X-PLOR and do it that way.
: : Cheers,
: : Charlie Bond
: I have a C program which will do what you want. EMail me if you want a
: copy!
: Andrew
Following this post thismorning, I've had about 5 requests for my C
program, so I'm putting it on our FTP site:
ftp://bsmcha1.biochem.ucl.ac.uk/pub/martin/torsions.c
Please let me know if you have any problems using or compiling it. The
PDB reading code is fairly complex as it tries to deal with pretty much
any PDB file you throw at it! The PDB reader comes as part of my
Bioplib library. For a licence form for obtaining Bioplib, please see
my WWW page.
Best wishes,
Andrew
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Dr. Andrew C.R. Martin, University College London & SciTech Software
EMAIL: martin at biochem.ucl.ac.uk Tel:(Work) +44(0)171 419 3284
URL: http://www.biochem.ucl.ac.uk/~martin (Home) +44(0)1372 275775
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