convert structure to ppt

I wrote some web apps that gets some data from Database and make table in pptx.
Because, I want use my time about research not making pptx.
The script uses python-pptx library.
Medicinal chemist needs not only data but also structures in pptx, but I couldn’t embed structures in pptx files.
I don’t have enough skill do that :-(.
Today I found very cool tool using RDKit and Python-pptx , named sdf2ppt !!!!
Wow ! that’s sounds nice !
Let’s use it.
Source code and good presentation were uploaded github.
https://github.com/dkuhn/sdf2ppt
Before use it, user needs to install python-pptx and rdkit. If you are mac user, it’s very easy to install the tools using pip and homebrew :-).
so… clone the repo like this…

iwatobipen$ git clone https://github.com/dkuhn/sdf2ppt.git

Then I got sample sdf from pubchem (sdf maybe anything OK).
in sdf2ppt folder sample template_pptx file is. So I used it.

If useing default settings, you can make pptx only typing like this ..

iwatobipen$ python sdf2ppt.py sample_pubchem.sdf

Then new pptx file will be created.
Compare template and created file
*template
Screen Shot 2014-11-25 at 10.57.08 AM
*created
Screen Shot 2014-11-25 at 10.56.48 AM

New pptx file has images and each image has chemical ID that annotated in SDF.
Text area and settings(like how many compds images in one page, or template or more.) are easy to customise using python.

Advertisements

Leave a Reply

Fill in your details below or click an icon to log in:

WordPress.com Logo

You are commenting using your WordPress.com account. Log Out / Change )

Twitter picture

You are commenting using your Twitter account. Log Out / Change )

Facebook photo

You are commenting using your Facebook account. Log Out / Change )

Google+ photo

You are commenting using your Google+ account. Log Out / Change )

Connecting to %s