Re: [OpenBabel-scripting] [openbabel-scripting] [OpenBabel & Pybel] Atomic Types Automatically Changed

[Noel O'B. <bao...@gm...>]

2009/3/18 Geoffrey Hutchison <ge...@ge...>:
>
> On Mar 18, 2009, at 6:14 AM, Noel O'Boyle wrote:
>
>>> Can we read a molecule with pybel with an option "read only the mol2 file
>>> without changing anything" ?
>>
>> I'm afraid not.
>
> Does pybel support the "copy" format?

Interesting - I didn't know about this (but I don't think this would
help here). We should probably create a wiki page with a list of
convenience formats (that is, formats that are not related to
particular programs).

Anyway, Pybel supports it, but I get an OpenBabel error: "Not a valid
output format". I presume it's not compatible with the Read/Write
functions used by the scripting interfaces. Will I file a proper bug
and see what happens?

> Cheers,
> -Geoff
>