test1000.sdf -osdf test1000_nofrags.sdf -r
>>>>
>>>> I get 997 of the following errors, and only 3 molecules converted:
>>>>
>>>> *** Open Babel Error in DoTransformations
>>>> Error executing an option
>
> To get back to Douglas's questio
>
>>> babel -isdf test1000.sdf -osdf test1000_nofrags.sdf -r
>>>
>>> I get 997 of the following errors, and only 3 molecules converted:
>>>
>>> *** Open Babel Error in DoTransformations
>>> Error executing an option
To get
> babel -isdf test1000.sdf -osdf test1000_nofrags.sdf -r
>
> I get 997 of the following errors, and only 3 molecules converted:
>
> *** Open Babel Error in DoTransformations
> Error executing an option
Without an example file (or a section of it) it's hard to kn
Hi,
I am trying to strip all salts from an SDF. Presumably the -r option
should be able to do this?
However, when I try the following command:
babel -isdf test1000.sdf -osdf test1000_nofrags.sdf -r
I get 997 of the following errors, and only 3 molecules converted:
*** Open Babel Error in
