Hi:
Despite Google and several attempts, I am still having no success in
getting Refmac5 to link a modified amino acid to its adjacent residues.
Using sketcher, a cif file for the modified amino acid was generated.
This cif file was used an input to Refmac5.
The relevant part from the Refmac5 log file is shown below; note the
"not be used" comment.
INFO: link is found (not be used) dist= 0.776 ideal_dist= 1.332
ch:BB res: 18 GLY at:C .->ch:Ba res: 19 THN at:N .
INFO: link is found (not be used) dist= 1.686 ideal_dist= 1.240
ch:BB res: 18 GLY at:O .->ch:Ba res: 19 THN at:N .
I also added the link comment in the pdb file as shown below:
LINK N THN B 19 C GLY B 18
LINK C THN B 19 N LEU B 20
Still, I fail to get a link between Gly18 to the modified residues
THN19, and from it to the next residue Leu20.
What trivial mistake am I making?
Arnon
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Arnon Lavie, Professor
Dept. of Biochemistry and Molecular Genetics
University of Illinois at Chicago
900 S. Ashland Ave.
Molecular Biology Research Building, Room 1108 (M/C 669)
Chicago, IL 60607
U.S.A.
Tel: (312) 355-5029
Fax: (312) 355-4535
E-mail: [email protected]
http://www.uic.edu/labs/lavie/
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