This is indeed really, really nice. Nice enough to put some effort behind
trying to support helm based pseudo atoms. If we can figure out how to add
arbitrary atoms instead of the fixed list, this could potentially solve a lot
of disparate problems, not the least of which are the depictions. Nice work!
----
Brian Kelley
> On Mar 1, 2016, at 7:38 AM, Greg Landrum <[email protected]> wrote:
>
> Thanks for sharing that!
>
> -greg
>
>
>> On Mon, Feb 29, 2016 at 9:21 AM, Esben Jannik Bjerrum
>> <[email protected]> wrote:
>> Hi All,
>> I put together a blog post about my experiences adding pseudo atom
>> support to RDkit to handle peptides and proteins. Thought I would share it
>> with you :-)
>>
>> http://www.wildcardconsulting.dk/useful-information/learn-how-to-hack-rdkit-to-handle-peptides-with-pseudo-atoms/
>>
>> Best Regards
>>
>> Esben Jannik Bjerrum
>> cand.pharm, Ph.D
>>
>> /Sent from my Ubuntu Touch Phone
>>
>> Phone +45 2823 8009
>> http://dk.linkedin.com/in/esbenbjerrum
>> http://www.wildcardconsulting.dk
>>
>>
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