RE: [PyMOL] Electrostatic potential maps in PyMOL

2003-07-10 Thread Yu Chen
Thanks everybody for suggestiones, and Warren for fixing the problem. I will see if we could generate some phimap not 65x65x65. Ksushik, I don't know why your Delphi is working fine, here is my output from load phimap, which it should be cause of the endianess: PHIMapToStr: now starting phimap

Re: [PyMOL] Electrostatic potential maps in PyMOL

2003-07-10 Thread Kaushik Raha
Yu Chen, I think it is because of endianess. My phi files were generated by Delphi on an SGI in the GRASP format. My PyMOL 088 on Linux does not seem to mind it. I think Warren has fixed the problem of endianess and it should be fine in the next release. Kaushik. On Thursday, July 10, 2003,

[PyMOL] New Map Formats Coming...

2003-07-10 Thread Warren L. DeLano
PyMOLers, In response to user requests, I have added support for BRIX (O maps) and FLD (AVS Field) map formats in the current development version. Are there any other map formats which people would use heavily if PyMOL were able to support them? Thanks, Warren --

Re: [PyMOL] Electrostatic potential maps in PyMOL

2003-07-10 Thread Andreas Förster
Hi Esben, I tried to follow your instructions to create and display an electrostatic surface potential. I used 1UBQ.pdb as input. In Mead, I encountered the following error when running potential -epsin 2 -CoarseFieldOut 1UBQ 1UBQ Starting potential for molecule named 1UBQ with interior