[Open Babel] Information on breaking API changes in forthcoming 3.0 release

2019-04-27 Thread Noel O'Boyle
Hi there,

As we work towards the next release, Geoff has asked me to put together
some documentation on the API changes introduced that might affect your
code:

https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html

This not a "What's New?" - that will have to be done separately, but rather
a "What Might Break My Code, and How to Fix it?"

Any feedback you have is welcome.

Regards,
- Noel
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Re: [Open Babel] ​How to combine t​wo OB​Mol objects​ ​​in python?

2019-04-27 Thread Noel O'Boyle
Have you tried molA += molB?

On Fri, 26 Apr 2019, 18:20 Lux QC,  wrote:

> Dear All,
>
> Greetings!
>
> What I want to do is to combine two molecules.
>
> I tried to combine two OBMol objects together, to obtain an OBMol object
> which contains the coordinates of the two molecules.
>
> After checking the class reference of openbabel, I found OBMoleculeFormat.
> When I import it from openbabel in python, however, I was told it doesn't
> exist. Then I checked openbabel.py, there is no OBMoleculeFormat in it.
>
> Is there any other way to do this?
>
> Thank you in advance.
>
> Best regards,
> QC
>
>
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