Just my 2 cents: > Evidently, a fair number of PubChem's sdf's have partial charge data.
I see aproblem here. The format shown in your example is not according to SDF spec (I think it does not suppor partial charge, only formal charge). They shouldbe using a different format, like MOL2. So if Jmol is made to support reading that, it is not really SDF import. That should be made clear. What other software reads those PubChem SDF files? ------------------------------------------------------------------------------ Protect Your Site and Customers from Malware Attacks Learn about various malware tactics and how to avoid them. Understand malware threats, the impact they can have on your business, and how you can protect your company and customers by using code signing. http://p.sf.net/sfu/oracle-sfdevnl _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
