Re: [PyMOL] Determining van der waals radius of a molecule

2010-06-23 Thread Jiamu Du
Try probe. http://kinemage.biochem.duke.edu/software/probe.php On Wed, Jun 23, 2010 at 11:37 AM, Prija Ponnan wrote: > Yes, coumarin is not sperical and so its diificult to calculate the radius > by determining its volume. > I am given task to calculate the vdw radius of a diacetoxy coumarin >

Re: [PyMOL] Determining van der waals radius of a molecule

2010-06-23 Thread Prija Ponnan
Yes, coumarin is not sperical and so its diificult to calculate the radius by determining its volume. I am given task to calculate the vdw radius of a diacetoxy coumarin molecule and I happen to find that PYMOL has an option to label vdw radius. But the PYMOL could label vdw radius of individual a