Hi,all, I am encountering a problem with symmetry mates generated by pymol. It seems that the naming system in pymol and ccp4-supported ACT program are not consistent. I have tested several pdbs in P4212 space group and attempted to figure out the relationship between these two, but failed. I appreciate it if you could hint me out.
Some comparisons are listed below. ACT:NSYM ( number of symmetry operation) followed by number of translations of one unit cell along x,y,z. PYMOL: the first two digits are the symmetry operation. The next six digits correspond to the relative integral unit cell translation xxyyzz. I figured that the symmetry operation( the first two digits in pymol) is off by 1 compared to the first digit in ACT, but have no idea how the last six digits relates to the ACT 1em7.pdb pymol ACT 01000000 21-10 02000000 3220 03000000 4010 05000000 6000 05000001 6001 ----------- 1RH4.PDB pymol ACT 000000-1 100-1 03000000 4000 01000000 20-10 ----------- 178l.pdb 01000000 21-10 00000001 1001 030000-1 401-1 070000-1 8110 07000000 8111 03000000 4010 Sincerely Fang Sheng ------------------------------------------------------------------------------ Come build with us! The BlackBerry® Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9-12, 2009. Register now! http://p.sf.net/sfu/devconf _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
