i am using open babel for my academic purpose i am trying to generate fingerprint for a molecule using python script and command line. The syntax i used for command line is " babel <molecule name> -ofpt " The output what i am getting is in two different ways , and i am unable to interpret. please find the attachment of the python script .
the output of the command line what i got is : babel struct10.mol2 -ofpt ***** 44 bits set 00000002 00000008 20000300 00010200 00000000 00000000 82000080 00000400 01800000 00100840 00000000 40008000 00008002 00000000 00000002 00000008 00000400 02000000 00018000 00020000 00000001 08000200 00008001 00400810 01000000 80000000 00422000 40000000 00400000 00020000 04000000 00000000 1 molecule converted 14 audit log messages whereas the python script output i got it as python fingerprints.py struct10.mol2 [0, 67108864, 131072, 4194304, 1073741824, 4333568, 2147483648L, 16777216, 4196368, 32769, 134218240, 1, 131072, 98304, 33554432, 1024, 8, 2, 0, 32770, 1073774592, 0, 1050688, 25165824, 1024, 2181038208L, 0, 0, 66048, 536871680, 8, 2] can anyone help me in getting solved http://forums.openbabel.org/file/n4473837/fingerprints.py fingerprints.py Thanks in advance. -- View this message in context: http://forums.openbabel.org/intrepretation-of-fingerprints-output-tp4473837p4473837.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
