Re: [PyMOL] Displaying/defining double bonds in a ligand molecule; lighting problem

2006-03-07 Thread Wulf Blankenfeldt
Warren, Mark; thanks for these suggestions concerning "overexposed" images. We have dumped Warren's settings into our pymolrc file and are now getting much better results... Best, Wulf Mark A Saper schrieb: Wulf et al, I've had similar results to what you report even with a session fil

RE: [PyMOL] Displaying/defining double bonds in a ligand molecule

2006-03-06 Thread Mark A Saper
Wulf et al, I've had similar results to what you report even with a session file created with the latest version of PyMol. You should first try what Warren suggests. Then, if the specular highlights still look too contrasty, you can try reducing the specular_intensity to about 0.2 and a

RE: [PyMOL] Displaying/defining double bonds in a ligand molecule

2006-03-06 Thread Warren DeLano
;t be there). use set ray_legacy_lighting, 1 with the above settings Cheers, Warren -Original Message- From: Wulf Blankenfeldt [mailto:wulf.blankenfe...@mpi-dortmund.mpg.de] Sent: Mon 3/6/2006 7:23 AM To: Warren DeLano Subject: Re: [PyMOL] Displaying/defining double bonds in a ligand mol

RE: [PyMOL] Displaying/defining double bonds in a ligand molecule

2006-03-06 Thread Warren DeLano
Wulf, The easiest thing would be to convert your small molecule to an SDF, MOL, or MOL2 format before loading it into PyMOL. Short of that, you'd have to select each bond independently (ctrl-right-click while in editing mode) and use Ctrl-W to set the valences. Cheers, Warren -Original M