Re: [Jmol-users] orbital isosurface default cutoff values

2010-10-07 Thread Robert Hanson
Pshemak, Here's the radial calculation: private float psi_Znuc = 1; // hydrogen private double radialPart(double r) { double rho = 2 * psi_Znuc * r / psi_n / A0; double sum = 0; for (int p = 0; p = psi_n - psi_l - 1; p++) sum += Math.pow(-rho, p) * rfactor[p]; return

Re: [Jmol-users] drawing cones

2010-10-07 Thread Robert Hanson
Well, it's symmetry axis is along Z, so just shorten or lengthen Z to change the opening angle. Or change X and Y distances. Right? On Wed, Oct 6, 2010 at 12:30 PM, Pshemak Maslak p...@chem.psu.edu wrote: On 10/4/2010 1:14 PM, Robert Hanson wrote: yes, I think so. Just adjust the vector

Re: [Jmol-users] drawing cones

2010-10-07 Thread Pshemak Maslak
On 10/7/2010 9:11 AM, Robert Hanson wrote: Well, it's symmetry axis is along Z, so just shorten or lengthen Z to change the opening angle. Or change X and Y distances. Right? Yes, it works. Changing the z value (I presume) in vector type 2 changes the opening angle by moving the apex of the

[Jmol-users] (no subject)

2010-10-07 Thread pino.stricc...@libero.it
Hi, i am trying to implement in my blog (http://pinostriccoli.altervista.org) JME TO JMOL (or JChempaint as in http://biomodel.uah.es/en/DIY/JChemPaint3/draw.en.htm), so that the two applets will be displayed in just one window. At the moment there is a link to Molinspiration that i would

Re: [Jmol-users] (no subject)

2010-10-07 Thread Angel Herráez
i am trying to implement in my blog (http://pinostriccoli.altervista.org) JME TO JMOL (or JChempaint as in http://biomodel.uah.es/en/DIY/JChemPaint3/draw.en.htm), so that the two applets will be displayed in just one window. At the moment there is a link to Molinspiration that i would

Re: [Jmol-users] (no subject)

2010-10-07 Thread Angel Herráez
I already have JME working in my page on my weblog, Actually i can see the molecule in 3d on molinspiration.com. I would like to use just Jmol in the same page with JME or Jchempaint. What do I need to display the two applets working and connected on the same page ? Jmol will accept