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Crystals is fully open source since a few years but building from source was always a tedious task. After many years, improvements have been made. The old Linux Makefiles and windows bat files have been replaced with cmake. The same … Continue reading
I previously talked the use of optimised trigonometric function through the use of the acml library. Trigonometric functions are coded in hardware through the x87 extension but it works on 80bits which is not necessary all the time. So software … Continue reading
This blog is hosted on a new server. The other services will slowly migrate as well.
Transformers is a python script which can apply symmetry operations or linear maps on crystallographic parameters (coordinates, ADPs, eigenvalues and their esds). It uses the full variance/covariance matrix so the standard uncertainties is correctly calculated. The calculation is exact, meaning … Continue reading
I wrote a small script that plot a few graphs from fcf files: Anafcfweb The script is in alpha stage with some improvements needed. I do not store the fcf/cif file on the server. However, the eps/png/pdf generated files are … Continue reading
Ok, so Pascal’s great idea and an idle lunch have seen me install a feed aggregator on the forum. Now this post will let me know if it is updating automatically! How cool is that?
I am looking around if a planet gathering rss feeds about crystallography or chemistry can be interesting. However, by looking at the websites of the software distributed here, none proposed rss feeds. So, in the hypothesis I’ll set up a … Continue reading
We must all congratulate Pascal on the fancy new look to debroglie.net, very nice. There is a slight delay on the platon update as Ton has appeared to have altered the file structure a bit which I will have to … Continue reading
Today we will be updating for you kind and caring Linux people: Release: Platon Version 250909: – New ALERTS _314 & _908 – Minor Update (Refinement of ALERT_390 & 391) Testing: CCTBX – Nightly build from the 24/09/09 to fix … Continue reading