From: Old A. <jr...@im...> - 2005-05-17 21:23:14
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Joost Van Durme wrote: >Hello! > >I'm investigating rotamer distributions of residues and I write a new PDB file including the found rotamers for one position. These are written at the end of the PDB file. >The result is that multiple rotamers of one residue are displayed in the molecule. > > This is a case of alternative MODELs in a PDB file. Atoms which are not in the same space or time are either put together in a new MODEL or are designed with an alternate location code e.g. *;A in RasMol script notation corresponding to the A between atom name and residue name in the PDB file. ATOM 2387 OH ATYR A1270 34.867 6.262 1.072 1.00 7.83 O ATOM 2388 N BTYR A1271 39.624 10.446 2.077 1.00 11.46 N and at this point I discovered that the Jmol10.00.11 command interpreter misinterpreted the ; it I tried: select *.OH;A Regards, Jan |