Subject: [modeller_usage] error on hetatm modelling
From: "V Nadeem Ahmad" <>
Date: Thu, 26 Aug 2004 18:56:31 +0530 (IST)
Reply-to:
Dear Modeller,
I was trying to do modelling with hetatm .it stopped after running a
while can anyone help me where was the mistake.
## the top file is
INCLUDE # Include the predefined TOP routines
SET ALNFILE = 'align.pir' , KNOWNS= '1a57', SEQUENCE = 'seq'
SET MODEL_TOPOLOGY = 1, HYDROGEN_IO = on, HETATM_IO = on, WATER_IO = on
SET TOPOLOGY_LIBRARY = $(LIBS_LIB6V2)/top.lib
SET PARAMETERS_LIBRARY = $(LIBS_LIB6v2)/par.lib
CALL ROUTINE = 'model' # do homology modelli
----------------- the log file ---------------------
assgn___544E> Variable name not recognized: MODEL_TOPOLOGY
Command line: SET MODEL_TOPOLOGY = 1, HYDROGEN_IO = ON,
HETATM_IO = ON, WATER_IO = ON
assgn___525E> Error in TOP variable assignment.
assgn___544E> Variable name not recognized: TOPOLOGY_LIBRARY
Command line: SET TOPOLOGY_LIBRARY = $(LIBS_LIB6V2)/TOP.LIB
assgn___525E> Error in TOP variable assignment.
assgn___544E> Variable name not recognized: PARAMETERS_LIBRARY
Command line: SET PARAMETERS_LIBRARY = $(LIBS_LIB6V2)/PAR.LIB
assgn___525E> Error in TOP variable assignment.
compile_563E> Please correct the errors reported above and rerun MODELLER.
recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
with regards
Nadeem Ahmad