Dear community,
I am trying to get warm with modeller-usage by checking out the official manual's examples.
For some reason, the READ_MODEL command does not work. Here's my input/output:
*************** INPUT ************************** READ_TOPOLOGY FILE = '/soft/modeller6v2/modlib/top.lib', TOPOLOGY_MODEL = 3 READ_PARAMETERS FILE = '/soft/modeller6v2/modlib/par.lib' READ_MODEL FILE = '1P7B'
*************** OUTPUT ************************** iatmcls_286W> MODEL atom not classified: VAL:OT1 VAL iatmcls_286W> MODEL atom not classified: VAL:OT1 VAL
Using different pdbs (eg. manual's suggested 1fas), I get the same error with different residues.
*************** OUTPUT ************************** iatmcls_286W> MODEL atom not classified: TYR:OT1 TYR iatmcls_286W> MODEL atom not classified: TYR:OT2 TYR
I have checked the pdbs for OT1 - there is simply no such entry, so: what's the problem? Also, I have tried modeller on different platforms (linux, irix etc).
Thanx for any help in advance
S. Tayefeh (Grad. Stud.) Technical University Darmstadt Dept. of Phys. Chemistry Germany