Carnal

Wilson S. Ross
Department of Pharmaceutical Chemistry
University of California, San Francisco
ross@cgl.ucsf.edu
ross@ucsfcgl.bitnet

Usage:


carnal [-O] < analin > analout
carnal [-O] -i analin -o analout -p parm

-O
Overwrite output files.

CARNAL is a new coordinate analysis program that allows comparisons between multiple streams of coordinates using a flexible command language. It has many of the capabilities of ANAL and MDANAL, which it is intended to eventually replace. It also provides set-theoretic group specification, cartesian vector oriented measurements, hbond analysis, output of distributions (including radial), selection of coordinate sets from streams, interpretations of md streams in terms of windows and format conversion.

    ___________________________________________________________________
    |                                                                  |
    |                                Stage 1                Stage 2    |
    |                                (CARNAL)            (You supply)  |
    |                                                                  |
    |  ___________         stream(s)              tables,              |
    |  | Dynamics |----->|          ___________   coords               |
    |  -----------       |--------->| static & |                       |
    |                    |- - - - ->| dynamic  |---------> numerical   |
    |  ______________    |- - - - ->| analysis |            analysis   |
    |  | Minimization|-->|         /-----------            & display   |
    |  --------------             /   ^                                |
    |                            /    |                                |
    |               parm file(s)/     |                                |
    |                                 commands                         |
    |                                 (analin)                         |
    |__________________________________________________________________|


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Updated on January 5, 2000. Comments to case@scripps.edu