Dear Amber Users,
I am trying to measure exposure of a subset of atoms of a nucleic acid residue (in a larger chain) to a dye of a
known radius (larger than that of default spherical approx. of water).
Cpptraj's function surf does not appear to have a probe radius option, while the molsurf appear to ignore the
rest of the molecule. Is there a function or a separate script/program combining the two functionalities?
Thank you in advance for any hints or references,
Voytek Kasprzak
Wojciech (Voytek) K. Kasprzak (Contractor)
Bioinformatics Analyst
Basic Science Program
Frederick National Laboratory for Cancer Research
Leidos Biomedical Research, Inc.
Post Office Box B
Frederick, Maryland 21702
Phone: 301-846-5537
kasprzaw.mail.nih.gov
http://binkley2.ncifcrf.gov/users/kasprzak
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Received on Mon Aug 20 2018 - 14:00:02 PDT
