> - Jmol's reader uses '_atom_site.b_iso_or_equiv' but the pdb.org mmCIF > uses '_atom_site.B_iso_or_equiv'
mmCIF file section/subsection names are case-insensitive. I recently had to add this case-insensitive but case-preserving feature to my own mmCIF parser. > - and, similarly, Jmol: '_atom_site_label_atom_id' vs. pdb.org > '_atom_site.label_atom_id ' Watch out for the difference between the _atom_site.label_ fields and the _atom_site.auth_ fields. You want to present the auth_ fields to the user; the label_ fields are generated by the PDB, and follow strict allocation rules. The auth_ fields are the names given by the author of the structure, and may use residue numbering schemes which are well-known by people who study a particular protein or family of proteins (but don't make sense otherwise). Regards, Jay ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd=lnk&kid=110944&bid=241720&dat=121642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
