>> Q: Jan, can you find me an entry with FORMUL records that include a >> continuation onto a second line? If it is not easy to do then do not do > > I found 5039 different ligands/hetgroups in the latest release of PDB > and none seems to have a two lines FORMUL record.
Very good. The file format specification says that a FORMUL can be continued onto a second line. There is currently no support for this in the Jmol PdbReader. > The longests FORMUL have eight 'components': > > FORMUL CUB C5 H9 N1 O2 S1 CU1 MO1 4+ PDB id 1N62 > FORMUL FTP C12 H13 N4 O4 F3 P1 S1 1- PDB id 1G4T > FORMUL PTE C20 H29 N10 O14 MG1 P2 S4 W1 PDB id 1AOR, 1B4N > FORMUL PTT C21 H23 N10 O13 MG1 P2 S4 W1 PDB id 1B25 > > You may take a look to the groups at > > http://bip.weizmann.ac.il/oca-bin/send-het?FTP > http://bip.weizmann.ac.il/oca-bin/send-het?PTE > http://bip.weizmann.ac.il/oca-bin/send-het?PTT > > BTW, the FORMUL record is present in about 86.7 % of the PDB entries, > as reported by pdbRecNames (http://bip.weizmann.ac.il/oca-bin/pdbRecNames) That is a useful statistic to have. Miguel ------------------------------------------------------- This SF.Net email is sponsored by: GNOME Foundation Hackers Unite! GUADEC: The world's #1 Open Source Desktop Event. GNOME Users and Developers European Conference, 28-30th June in Norway http://2004/guadec.org _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
