Subject: Re: [modeller_usage] error on hetatm modelling
From: Modeller Caretaker <>
Date: Thu, 26 Aug 2004 11:45:48 -0700
Cc:
On Thu, Aug 26, 2004 at 06:56:31PM +0530, V Nadeem Ahmad wrote:
> 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
Your variable names are incorrect. See
http://salilab.org/modeller/FAQ6v2.html#15 and make the following
substitutions:
MODEL_TOPOLOGY -> TOPOLOGY_MODEL
TOPOLOGY_LIBRARY -> TOPLIB
PARAMETERS_LIBRARY -> PARLIB
Ben Webb, Modeller Caretaker
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