I am building some depictions where I need to show some atom based properties. My input structures are hydrogen complete and many structures have H atoms amongst heavy atoms; my issue is I'd like to avoid drawing hydrogens (depictions are often very cluttered because of them), but if I remove them before the Compute2DCoords() call, I lose the ability to correctly highlight the atoms referencing them by index.
Is there any way to do what I need? -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu ------------------------------------------------------------------------------ Special Offer-- Download ArcSight Logger for FREE (a $49 USD value)! Finally, a world-class log management solution at an even better price-free! Download using promo code Free_Logger_4_Dev2Dev. Offer expires February 28th, so secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsight-sfd2d _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
