> As it was suggested, I'd like to use the PDB format file instead of the > XYZ > format file. However, my information about PDB is not good. I wrote two > simple following frames: > > Frame 1 > ATOM 1 Fe ASN 1 19.058 16.247 11.361 1.00 0.000 > ATOM 2 Na ASN 1 16.367 1.038 19.679 1.00 0.000 > END > FRAME 2 > ATOM 1 Fe ASN 1 20.058 16.247 11.361 1.00 0.000 > ATOM 2 Na ASN 1 15.367 1.138 19.679 1.00 0.000 > END > > But Jmol couldn't separate the two frames. Can somebody tell me what I've > missed there? and introduce a good link about how to write simple PDBs.
Neither 'Frame' nor 'FRAME' is a valid record type identifier in the pdb format ... you want 'MODEL' PDB spec is at: http://www.rcsb.org/pdb/docs/format/pdbguide2.2/guide2.2_frame.html Watch your column numbers ... especially for the 'MODEL' record. Miguel ------------------------------------------------------- SF.Net email is Sponsored by the Better Software Conference & EXPO September 19-22, 2005 * San Francisco, CA * Development Lifecycle Practices Agile & Plan-Driven Development * Managing Projects & Teams * Testing & QA Security * Process Improvement & Measurement * http://www.sqe.com/bsce5sf _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
