Dear professor,
I want to build PDB formatted glycan files using LEaP automatically, so
I create several shell files like this:
#!/bin/bash
cd ~/amber10/bin/
./tleap << !
source leaprc.GLYCAM_06
glycan=sequence{ROH}
glycan=sequence{glycan 3VA}
glycan=sequence{glycan 3LB}
glycan=sequence{glycan 0SA}
savepdb glycan glycan.pdb
quit
!
But when I run this file it returns:
*** Error: tl_getline(): not interactive, use stdio.
But it's ok when I run these commands line by line. Can you tell me how
to run LEaP automatically? (I can create LEaP command lines
automatically, but I can't run them automatically)
Thank you very much!
Yours Sincerely,
Lin Song
Center for Computational and Systems Biology,
Institute of Biophysics, CAS.
15 Datun Road, Chaoyang District
Beijing, 100101
P.R.China
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Dec 13 2009 - 23:30:02 PST
