Exons:
Bits of information for using the MUSC Shared Resource,
the BioMolecular Computing Resource (BCR).

Exon_48 Running the JAGUAR program at MUSC.
Modify your ".cshrc" file to include the following lines.

Jaguar is an ab initio quantum chemistry software package based on 
PS-GVB. Jaguar utilizes pseudo-spectral methods to greatly accelerate
quantum chemistry calculations.

#Schrodinger MOPAC2000 setup
setenv MOPAC_HOME /usr/common/bcr/mopac
set path = ($path $MOPAC_HOME)
#Schrodinger Maestro/MacroModel/Jaguar setup
setenv SCHRODINGER /usr/common/bcr/macromodel
alias macromodel $SCHRODINGER/macromodel
alias maestro $SCHRODINGER/maestro
alias jaguar $SCHRODINGER/jaguar

To start MAESTRO simply add the above to your .cshrc file, 
save the changes, type "source .cshrc" OR logout/login again.
Then type "maestro &". JAGUAR has a built-in BABEL program and
can read/convert most formats. MACROMODEL can read PDB and SYBYL
MOL2 formats.



The BCR at the Medical University of South Carolina

 URL: http://bcr.musc.edu/

  Last modified: 
July 20, 2001- ESH 



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