Hi,
i am relatively new user to openbabel. I am having problem in using
obchiral. When i execute "obchiral" with example mol file (show at the end)
i get the following output:
Molecule 1:
Atom 7 Is Chiral C3
I do not get other informations as is mentioned in documentation of
'obchiral'. Can someone please let me know if there is something i am doing
incorrectly or is there any problem with the installation of obchiral.....
thanks.
shashi
example 'mol file'
--------------------------------------------------
Mrv0541 06151115492D
11 10 0 0 1 0 999 V2000
0.8250 2.8579 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1105 2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0625 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 2 0 0 0 0
2 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 6 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
M END
---------------------------------
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