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DrrDom / crem

CReM: chemically reasonable mutations framework
BSD 3-Clause "New" or "Revised" License
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Opening Pre-Compiled Databases #7

Closed jbannon closed 2 years ago

jbannon commented 2 years ago

Perhaps a novice question, but opening the pre-defined fragment databases given here: http://www.qsar4u.com/pages/crem.php.

using gzip, etc. gives an unexpected end of file error. Any advice on properly unarchiving these?

DrrDom commented 2 years ago

Which archive causes this issue? I checked sa2 and it works fine with gunzip. Maybe try to download it once more. Other databases I do not recommend to use, because SCscore is not very reasonable to estimate synthetic complexity.

jbannon commented 2 years ago

that worked. issue was with the first of the SCscore databases; could be that i was using the -d flag but unlikely.