Hello,
What version od OB are you using? I would recommend checking latest master
branch on github. Actually it has confab bundled, which was suggested by
Pascal, while confab on itself also uses ancient version (2.3.1 as I
remember correctly).
Pozdrawiam, | Best regards,
Maciek Wójcikowsk
Hi,
> According to "obabel -L conformer" there is an option that will carry out
> an exhaustive systematic search for the lowest energy conformer. When I
> execute "obabel --conformer --systematic", my output structure is identical
> to the input structure. For example:
>
> $ obabel in.xyz -O ou
Hello OpenBabel users,
According to "obabel -L conformer" there is an option that will carry out
an exhaustive systematic search for the lowest energy conformer. When I
execute "obabel --conformer --systematic", my output structure is identical
to the input structure. For example:
$ obabel in.xyz
