User 1494e93569
21-11-2012 11:37:08
Marvin 5.11.3_b58
I am parsing .mrv files to map molecular data and would like to shadow groups of atoms (2,3 or 4) as they are shown when a Position variation bond is added as in the example below.
Is this doable without the specific requirement of a position variation bond?
It would be possible to specify this atom/bond layout in the .mrv file (.i.e. select atoms/bonds to be shaded this way)?
ChemAxon 044c6721bc
22-11-2012 14:35:26
Hi,
I'm not sure I understand right. You can't do this shadowing without position variation bond. If yout select the atoms, you can store the selection in the mrv file (but after a clikk, itt will disappear).
Janos
User 1494e93569
22-11-2012 16:14:04
The layout is convenient to show molecular properties. The current way of highlight bonds is through the bond specification (e.g.... mrvSetSeq="2" mrvBold="true"/>) , by using colors or a different thickness. Shading bonds as shown when a multicenter Sgroup is added to the sketch, is the kind of representation I would like to achieve (just the shadows). If this can be currently done, for instance, by tweaking its definition (e.g. <molecule id="sg1" role="MulticenterSgroup" molID="m2" atomRefs="a1 a6 a5 a4" center="a7"/> hypothethically deleting center=) or requires a further implementation of this kind of display in the API as an aditional bond layout, was my question.
ChemAxon 044c6721bc
23-11-2012 12:51:52
Hi,
No, this is not possible now.
Janos