User 5a88369158
12-05-2010 02:14:46
Hi,
Is there a way to calculate the van Der Waals surface area for basic atoms using Chemaxon? The particular parameter is calculated in the attached paper (see page 3 of pdf file)
Thank you,
Yash Gandhi
User 5a88369158
12-05-2010 02:14:46
Hi,
Is there a way to calculate the van Der Waals surface area for basic atoms using Chemaxon? The particular parameter is calculated in the attached paper (see page 3 of pdf file)
Thank you,
Yash Gandhi
ChemAxon e08c317633
17-05-2010 10:40:34
Atomic van Der Waals surface area increments are calculated by the Molecular Surface Area Plugin, so you can calculate these and sum them for the basic atoms.
I hope this helps.
Zsolt