According to Miguel: > 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. 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) Jaim -- Dr Jaime Prilusky | [EMAIL PROTECTED] R&D Bioinformatics and Data Management | Weizmann Institute of Science | fax: 972-8-9344113 76100 Rehovot - Israel | tel: 972-8-9344959 info URL http://bip.weizmann.ac.il/staff/jaime_prilusky.html OCA is at http://bip.weizmann.ac.il/oca/ ------------------------------------------------------- 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
