[modeller_usage] READ_MODEL error: MODEL atom not classified
To:
Subject: [modeller_usage] READ_MODEL error: MODEL atom not classified
From: Sascha Tayefeh <>
Date: Tue, 27 Apr 2004 11:52:16 +0200
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