On Mon, Aug 19, 2002, Mark Hsieh wrote:
>
> Is there a way for tleap to correctly read in antibody PDBs
> residue where the numbering includes a letter after the residue
> number (e.g., 100, 100A, 100B, 100C, etc.)?
Not using the usual definition of "correctly" :-)
tleap will split the above residues into individual ones, but then the
numbering won't match the input pdb file. And if 100A and 100B are both
the same residue type (e.g. both ALA, etc.), tleap may not work at all, since
its algorithm for figureing out where one residue ends and next begins will
fail.
Finding a way to preserve original residue numbers from a pdb file is on
the list of things we are hoping to include in the next release.
..dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Mon Aug 19 2002 - 14:15:45 PDT
