ProCheck and Aqua - local modifications



Procheck


First, issue the following command from the unix prompt. If you get an error, enter it again. This is an alias (defined in system cshrc file) that sources the Procheck (which includes the program Aqua) environment.
  • % aqua
Now see the manual pages How to Run Aqua and Procheck and follow the directions.
  • Procheck Manual - includes procheck-nmr, procheck_comp, and part of aqua
  • For more aqua documentation, look in your local /usr/local/aqua3.2/html directory

The path to the executables should be
  • /usr/local/procheck/procheck.scr
  • /usr/local/procheck/procheck_comp.scr
  • /usr/local/procheck/procheck_nmr.scr


Installation


use the distribution we already have since it has modifications needed to operate properly with Aria restraint files.
  • CNS distance restraint files can be more complex than the Xplor support included in the original distribution.
  • The following 2 files have been modified to work with the CNS restraint files created by Aria.
  • aqua3.2/scripts/convXPLORdistrestr
  • aqua3.2/scripts/qmodr
  • click here for code changes
the distribution consists of 2 different directories which should be placed in /usr/local
  • aqua3.2
  • procheck
Download our modified files precompiled for the Macintosh by clicking here

add the following to your .cshrc file
  • source /usr/local/procheck/setup.scr
On Macintosh make a link to define the command nawk, which Macs don't otherwise have
  • ln /usr/bin/awk /usr/local/bin/nawk