Feb 092011
 

Autobondrot 2.0

:: DESCRIPTION

Using Autobondrot, Probe can generate multiple molecular conformations by rotating atoms around defined dihedral axes and perform other transformations. To use this function you must construct an input script defining rotatable bonds, etc. Usually called .rotscr files, they are quite similar to the @bondrot sections in a kinemage file. The probe command iterates over each conformation and generates a tabular output of the probe score and the conformation angles.

Atomic coordinates for specific conformations (in PDB format) can be output.

::DEVELOPER

Richardson Lab

:: SCREENSHOTS

Command Line

:: REQUIREMENTS

:: DOWNLOAD

Autobondrot

:: MORE INFORMATION

The usefulness of this is as described in Word et al. (2000) Protein Sci. 9, 2251-2259 {download arrow PDF, 188KB}.

Autobondrot is free software available under the terms of its own BSD-style license.

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