Category Archive: Testing

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 * Isosurfaces with adjustable colour gradient. * Atomic displacement ellipsoids (ADP’s) with xd.res-/xd.mas- or *cif-files. …

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Permanent link to this article: http://blog.debroglie.net/2009/11/18/moliso/

Nov 05

Big Moves

Ok, so with no feedback to the contrary I’m working on the premiss that the latest test Olex2 is stable and happy and all is good with the world. My tests seem to show that it is so I am now in the process of committing it to be in the release repo. Along with …

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Permanent link to this article: http://blog.debroglie.net/2009/11/05/big-moves/

Sep 17

RPy

Those of you who used RPy in there code would perhaps have been slightly stunned when moving to Fedora 11 by the presence of only RPy2. Whilst RPy2 is the natural progression to the R – Python interface there is just the small annoying problem that years of code in RPy does NOT work in …

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Permanent link to this article: http://blog.debroglie.net/2009/09/17/rpy/

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