Subject: problem with template selection using compare
From: "michael hanlon (BITS)" <>
Date: Wed, 10 Apr 2002 16:19:53 +0100
Running v6.1 on RedHat7.2 on a PIII
Trying to use the following script for template selection:
READ_RESTYP_LIB RESTYP_LIB_FILE = '${MODINSTALL6v1}/modlib/restyp.lib'
READ_ALIGNMENT FILE = '${MODINSTALL6v1}/modlib/CHAINS_all.seq',;
ALIGN_CODES = '1bmdA' '5mdhA' '7mdhA' 4mdhA
MALIGN
MALIGN3D
COMPARE
ID_TABLE
DENDROGRAM
but I get the error:
read_al_375E> Unknown residue type,position,sequence: 1 4
recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
I tried adding the first line of the script to force reading of the default
residue types (in case that was the problem), but it didn't help.
Any help much appreciated
Mike
-----Original Message-----
From: Voula Kanelis [">mailto:]
Sent: 10 April 2002 14:29
To:
Subject: phospo-serine residues
Hello,
I am currently using Modeller 4 and need a phosphoserine residue.
Unfortunately, this residue is not defined in the modlib files and I do
not have access to CHARM or QUANTA to be able to create it (a problem to
be fixed shortly - hopefully). Does anyone have such a residue defined and
would be willing to share?
Thanks in advance,
Voula Kanelis
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