customizing colors with molconvert / jpg output

Hi,

is it possible to convert an sdf file to a jpg image and have certain atoms of the molecule colored with specified colors?

MarvinView allows to do that via

MarvinView -t DMAP -p Colors.ini molecule.sdf

(where Colors.ini specifies the colors and the DMAP tag the coloring information in the sdf file)

But this tool just shows the colored molecule on the screen, not in a jpg file.

We tried to use molconvert but it does not seem to support the -t/-p options as shown above.

Any ideas what else we could try?

Thanks a lot in advance,

Christian

Hi Christian,

first of all, sorry for the very late answer, i missed this topic earlier.

So, the -t and -p parameter is specific to MarvinView, and is not usable with molconvert unfortunatelly.

Also unfortunate but i can not suggest any replacement for this functionality.

I am keen on to find a solution for you soon, but i have to talk about this with the management first. I will get back to you as soon as possible.

Regards,
Istvan