[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [modeller_usage] error on hetatm modelling

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
-- 
modeller-care@ucsf.edu             http://www.salilab.org/modeller/
Modeller mailing list: http://salilab.org/mailman/listinfo/modeller_usage