extracting coordinates from a stereo diagram

Menachem Shoham shoham at BIOCHEMISTRY.BIOC.CWRU.EDU
Wed Oct 5 09:38:11 EST 1994


Hello Everyone,
A couple of months ago I posted a request for a program to extract coordinates 
from a stereo diagram. Thanks to all of you who replied. I am happy to tell you 
that we successfully used program STEREO to produce coordinates from an alpha 
carbon stereo diagram in the literature. This program was originally written by 
Michael Rossmann. Ellis Golub from the University of Pennsylvania was kind 
enough to send me her version of the program which she had modified for a 
vax/vms platform. I modified it slightly to write a poly alanine output file in 
PDB format. 
 I will send the source, a command file, and examples of input and output files 
to Frances Bernstein at the Protein Data Bank for the benefit of the public at 
large.
 To produce the x and y coordinates of the alpha carbons in both the left and 
right parts of the stereo diagram we digitized the diagram on flatbed scanner 
hooked up to a PC. Subsequently we read the image into a drawing program on a 
PC, which allows you to read the x and y coordinates by pointing the cursor to 
the alpha carbon positions.
                                  Good luck,
                                             Menachem Shoham

Menachem Shoham
Department of Biochemistry
Case Western Reserve University School of Medicine
10900 Euclid Ave
Cleveland, OH 44106-4935
tel. (216)-368-4665, FAX (216)-368-4544
alternate e-mail address: shoham at cwbio.bioc.cwru.edu





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