ROCS 3.1.0

November 2010

New Features

  • Added new platforms: Ubuntu 10 x64 and Sled 11 x64.
  • ROCS now works with named pipes created using mkfifo on non-Windows platforms.
  • The hlmerge application was not opening lists unless the file had an extension of ”.list”. Now hlmerge will attempt to open any non-molecule file as a list.

Bug Fixes

  • Fixed a bug related to saving screenshots on Linux.
  • Fixed a bug related to adding color atoms to a query.
  • Fixed a bug related to the contour slider losing focus.
  • Fixed a bug related to two contours overlapped by default causing display artifacts.
  • Removed spurious warnings for “-auto” and “-rqedbmols”.
  • Fixed a bug in chunker that was causing the output file to be empty.
  • Fixed a bug where the “-reportfile” option was being ignored.
  • Fixed a bug where the “-maxconfs” option was being ignored.
  • Fixed a bug in the coloring of aldehydes.
  • Fixed a bug where multiple processor jobs would print “Slave started on host Host”. The message now prints the proper hostname for the process.
  • Fixed a bug where using “-stats best” was causing an empty report file.