Nov 20

Objcryst-fox 1.9

Fox has been updated to the new upstream version. NEW FEATURES Add automatic least-squares refinement of the structure during a global optimization run Take into account rigid groups during least-squares refinement Working triclinic indexing Allow manual adding of peaks for … Continue reading

Nov 18

MolIso

MolIso has been (is being) added to the testing-repo. For all distributions. Here is the blurb: Moliso is a program to generate color mapped transparent 3D iso-surfaces from experimental XD grid and gaussian cube files. Features * Correct transparency mode … Continue reading

Oct 09

Crystals

Crystals (command line version) is now available on debroglie-test from version 9 to 12 both i386 and x86_64. The compilation is now made with gfortran instead of g77. Crystals version has been updated from the old version to a brand … Continue reading