[PyMOL] Visualizing Molecular Orbitals in PyMol

2007-02-15 Thread BuzB
e of space, how do I generate a map? Will having sign information complicate matters? 2. Given a map object, how do I color the mesh depending on the sign of the values in the map? Thank you very much! and all the best, --BuzB

[PyMOL] Visualizing Molecular Orbitals in PyMol

2007-02-19 Thread BuzB
Hi All, Thanks to everyone and for the responses to and encouragement about my query on visualizing molecular orbitals in pymol. I'm using PyMol 0.99rc6. I feel like I'm quite close to a solution. I've developed a routine to compute a 3 dimensional matrix containing the probability amplitudes o