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ostrokach / cinfony

Automatically exported from code.google.com/p/cinfony
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MACCS support lacking in pybel #2

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
What steps will reproduce the problem?
1. Trying to calculate MACCS fingerprints from pybel fails, stating that it's 
not a supported 
fingerprint

Please provide any additional information below.
Since MACCS is now supported in OpenBabel, the addition of MACCS support to 
Cinfony would be 
very welcome. Changing line 48 in pybel.py to "fps = ['FP2', 'FP3', 'FP4', 
'MACCS']" will do the trick.

Original issue reported on code.google.com by fredrikwallner@gmail.com on 4 Aug 2009 at 2:30

GoogleCodeExporter commented 9 years ago 
Sorry - I wasn't notified of this feature request. I will sort this out. The 
ideal
situation of course would be that the list of fingerprints is automatically 
updated.
I will see if this is possible.

Original comment by baoille...@gmail.com on 17 Dec 2009 at 8:37

GoogleCodeExporter commented 9 years ago 
Fixed in r179. The list of plugins is now automatically updated.

Original comment by baoille...@gmail.com on 3 Jan 2010 at 5:41