On Tue, Jun 15, 2010, Heather Condurso wrote:
> > loadoff ye1.lib
> Loading library: ./ye1.lib
> > complex = loadpdb 2NP9S_trunc.pdb
> Loading PDB file: ./2NP9S_trunc.pdb
> Unknown residue: YE1 number: 423 type: Terminal/beginning
Residue names are case sensitive. In "ye1.lib" the residue name is "ye1",
whereas in the pdb file it is "YE1".
> Unknown residue: OXY number: 424 type: Nonterminal
You also have a residue in the pdb called "OXY" (looks like dioxygen). You
will need to make a library file for this as well.
....dac
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Received on Wed Jun 16 2010 - 20:00:04 PDT
