Wuxi make-on-demand
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To search the WuXi make on demand library before it has been loaded into ZINC, please proceed as follows.
use the script in ~xyz/wuxi/searchwuxi.csh
- first argument is your filename
- second argument is TC e.g. 0.6
- results will be in results.txt
Thus for example
~xyz/wuxi/searchwuxi.csh myfile.ism 0.5