[AMBER] mmCIF from amber

From: Thomas Pochapsky <pochapsk.brandeis.edu>
Date: Wed, 4 Jan 2017 09:34:22 -0500

I am trying to deposit the results of a solvated RDC-restrained dynamics
run in the PDB, and they told me that the files should be in mmCIF
format, since they are too large for standard PDB format (more than
99999 atoms). Is there a straightforward way to convert a .rst7 file to
mmCIF with built-in AMBER functionality? Something akin to ambpdb?

Tom Pochapsky

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Received on Wed Jan 04 2017 - 07:00:02 PST
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