> why isn't ALY from 1jm4 in the protein set, though it contains the > backbone atoms *.N,*.CA,*.C,*.O > http://www.imb-jena.de/cgi-bin/SCOPlnk.exe?JMOL=1jm4 > select [ALY]/1 and (*.N,*.CA,*.C,*.O)
Jan, This is failing because the N is coming after the CA in the file. All normal aminoacids have the sequence ordered N, CA, C, O ATOM 216 N GLY B 715 ... ATOM 217 CA GLY B 715 ... ATOM 218 C GLY B 715 ... ATOM 219 O GLY B 715 ... This has the sequence CA,N,C,O HETATM 74 CA ALY A 50 ... HETATM 75 N ALY A 50 ... HETATM 76 C ALY A 50 ... HETATM 77 O ALY A 50 ... The current mechanism enforces proper ordering when trying to recognize special groups. I suppose we can change this ... but we need to ensure that we don't break something else. Let me know what you think. Miguel ------------------------------------------------------- This SF.Net email is sponsored by BEA Weblogic Workshop FREE Java Enterprise J2EE developer tools! Get your free copy of BEA WebLogic Workshop 8.1 today. http://ads.osdn.com/?ad_id=5047&alloc_id=10808&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
