[PyMOL] Deleting and Loading multiple SDF files

2010-09-22 Thread Renuka Robert
p { margin-bottom: 0.08in; } Dear Pymol users I have to do TWO jobs simultaneously in PYMOL. JOB 1: Load multiple *sdf files I have set of ligand files in *.sdf format as follows: /home/user/Model_1/cluster_1.sdf /home/user/Model_1/cluster_2.sdf

[PyMOL] Fit command for 24 vs 18 amino acids

2010-04-21 Thread Renuka Robert
I have binding site of two homologous crystallographic structures. PDB_01 contains 24 amino acids: Leu44, Gly45, Phe49, Val52, Ala65, Lys67, Glu89, Ile104, Leu120, Glu121, Arg122, Pro123, Val126, Asp128, Asp131, Glu171,

[PyMOL] RMSD for ALL ATOMS against ALL ATOMS

2010-04-14 Thread Renuka Robert
HiĀ  All Pymol users I have a set of 40 X-ray crystallographic structures complexed with inhibitors belonging to a specific family of kinases. Binding site residues within 5 angstrom from the inhibitor were selected for each PDB