Atom coloring in V3000 SDF file

Hi,

MarvinView allows to color individual atoms via

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

(where Colors.ini specifies the colors and the DMAP tag the atom color information in the sdf V2000 file)

Does this also work for the V3000 standard? If so, how would I specify the the color information?

Thanks in advance for your help,

Christian

Hi Christian,

as the ctfile specification states: "An SDfile (structure-data file) contains the structural information and associated data items for one or more compounds, which can be V3000, V2000, or a combination of both."

Marvin can read the associated property data either from V3000 and V2000 format, the specification says the properties have the same format in both versions.

So the -t and -p parameters should have the same effect either on V2000 on V3000 or mixed sdf files, and should be specified in the same way.

Regards,
Istvan