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[#1236] Several acedrg failures

Date:
2017-03-11 15:29
Priority:
4
State:
Open
Submitted by:
Andrey Lebedev (andrey)
Assigned to:
Fei Long (flong)
Summary:
Several acedrg failures

Detailed description
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.
Message  ↓
Date: 2017-03-13 15:35
Sender: Fei Long

A bug has been fixed and the new version of acedrg (version 180) has been committed.

Attachments:
Size Name Date By Download
393 KiBBugs.tar.gz2017-03-11 15:29andreyBugs.tar.gz
Field Old Value Date By
File Added189: Bugs.tar.gz2017-03-11 15:29andrey