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AMBER Archive (2004)Subject: AMBER: Bug in babel conversion (while following the RED manual in pp.15)
From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Dear Amber Users,
babel -ipdb unconnected_pdb.pdb -opdb connected_pdb.pdb
The output of the connected_pdb.pdb cannot be read in MOLDEN program. (Did
connected_pdb.pdb (the file which cannot be read by MOLDEN)
delete a line left to the 'C' while keeping the column with the name
ATOM 1 O5' C 14 5.422 28.232 13.133 1.00 0.00
Best,
-- Ilyas Yildirim --------------------------------------------------------------- - Department of Chemisty - Home Address: - - University of Rochester - - - Hutchison Hall, Office B10 - 60 Crittenden Blvd. Apt. 232 - - Rochester, NY 14627-0216 - Rochester, NY 14620 - - Ph.:(585) 275 67 66 (Office) - Ph.:(585) 242 91 37 (Home) - - Homepage: http://www.pas.rochester.edu/~yildirim/ - ---------------------------------------------------------------
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