How do I add multiple properties to SDF output? As you can see below,
it seems that only the last property is recognized if I try putting
multiple --property options, whereas if I try to set multiple property
pairs, they get concatenated together.
$ ~/opt/openbabel-2.3.0/openbabel-install/bin/obabel -ismi
-:"c1ccccc1" -osdf --gen2D --property foo bar
OpenBabel06251115042D
6 6 0 0 0 0 0 0 0 0999 V2000
-0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
M END
> <foo>
bar
$$$$
1 molecule converted
$ ~/opt/openbabel-2.3.0/openbabel-install/bin/obabel -ismi
-:"c1ccccc1" -osdf --gen2D --property foo bar --property baz 234
OpenBabel06251115052D
6 6 0 0 0 0 0 0 0 0999 V2000
-0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
M END
> <baz>
234
$$$$
1 molecule converted
$ ~/opt/openbabel-2.3.0/openbabel-install/bin/obabel -ismi
-:"c1ccccc1" -osdf --gen2D --property foo bar baz 234
OpenBabel06251115062D
6 6 0 0 0 0 0 0 0 0999 V2000
-0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
M END
> <foo>
bar baz 234
$$$$
1 molecule converted
$
--
A. Heifets
http://www.cs.toronto.edu/~aheifets/
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