Institute of inorganic chemistry.
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APD-Toolkit and LaueScript

APD-Toolkit A program for estimating hydrogen ADP and assigning point charges Link
LaueScript A high-level python library for crystallographic data processing, required by APD-Toolkit Link
laueScriptHandout.pdf (Download instructions, descripton and reference sheet) download August 13th, 2015


invtool.bz2 Linux binary download August 8, 2013
invtool.exe Windows binary download August 2, 2013 Scattering factor database DABA.txt and new one (DABA_def2TZVP.txt) including Br compounds download September 26th, 2016


Moliso A program for colour-
mapped iso-surfaces


MolecoolQt molecule viewer for charge density related science Link


ShelXle Graphical user interface for SHELXL Link