PDB CONECT HELP

sgro at psl.wisc.edu sgro at psl.wisc.edu
Wed Jul 21 18:09:22 EST 1993


In article <1993Jul16.211941.43356 at ucl.ac.uk>, mcdonald at bsm.bioc.ucl.ac.uk (Ian McDonald) writes:
>Can anyone help me ?
>
>Is there a program in existence that will "complete" the CONECT (connectivity)
>records of a PDB (Brookhaven protein data bank protein structure file) file so
>that the connectivity of any groups that are not standard amino acid residues is
>included.
>
>Ie
>
>OLD PDB FILE             Sought-            complete connectivity
>(incomplete         --->   After       ---> records (in any format)
>connectivity)            Program            (eg included in a new PDB file)
>
>
>
>Ian


I know that you can do that from WITHIN the MIDAS-PLUS molecular
graphics package. There is an option you can turn on and it
will output an extended PDB file including ALL the CONECT records.
I do not know how to do that otherwise.

MIDAS-PLUS runs on Silicon Graphics computers and costs only about
$350 to a non-profit organization. I seem to recall that they use
this program also at PDB in Brookhaven.

Hope this is a start!...

Jean-Yves Sgro

Institue for Molecular Virology
Madison WI 53706

sgro at macc.wisc.edu
(608) 262 7464 (voice)
(608) 262 7414 (fax)




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