Detailed description |
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Please unpack the attached file Bugs.tar.gz.
Then the directory Bugs will contain several subdirectories,
and each sub-directory will contain input, a runnable file z.sh and results.
These examples seem to be failing with acedrg v.178 (rdkit v.2016.09.04).
Tests were done with ccp4-7.1 build, which, as far as acedrg is concerned,
should be equivalent to ccp4-trunk build.
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