Re: [Jmol-users] trace on connects also ligands in a strange way

2008-01-31 Thread Angel Herraez
Ok, Raphael, it's solved. Your protein pdb file is somewhat singular: there are nonstandard amino acid residues (RET, MSE), ions (HG, ZN, NI, NA), water (HOH) and sugars (MAN, NAG). But all are marked as ATOM records and have a residue number, so Jmol sees no HETERO groups, hence no LIGANDS ei

Re: [Jmol-users] trace on connects also ligands in a strange way

2008-01-30 Thread Angel Herráez
Raphael A. Bauer wrote: > background white; select all; wireframe off; backbone off; spacefill > off; trace on; > > on a protein with ligands bound to it. unfortunately i am getting the > normal trace plus a trace that seems to connect all ligands (looks like > a giant signature of a MD). That's

[Jmol-users] trace on connects also ligands in a strange way

2008-01-30 Thread Raphael A. Bauer
hi jmol list, if i am issuing the script: background white; select all; wireframe off; backbone off; spacefill off; trace on; on a protein with ligands bound to it. unfortunately i am getting the normal trace plus a trace that seems to connect all ligands (looks like a giant signature of a MD).