I should apology for my unqualified remark (initiated by a personal note to me). I do appreciate and like grasp. >From my experience, though, the appearance of an electrostatic surface representation is so much dependent on the parameters, on the input PDB-file (presence of ligands, waters, several copies), that I suppose many of the calculations could be replaced by a surface with a colour scheme based on acidic or basic residues without loss of information - I have met too many people who use software just as they would use Windows instead of understanding what they are really trying to do, and as soon as they see what they want to see the make a screen shot (not excluding me here).
cheers, Tim -----Original Message----- From: Tim Grune <[EMAIL PROTECTED]> To: CCP4BB@JISCMAIL.AC.UK Date: Thu, 21 Jun 2007 13:26:54 +1000 Subject: Re: [ccp4bb] mac pro configuration for crystallographic computing On Thursday 21 June 2007 06:50, Juergen Bosch wrote: > I don't have one of those beast in my hands unfortunately. But I can > verify that all except of HKL2000 (which I don't use, so I don't > care/bother to check if there is an OS X version there) of the programs > you mentioned run without any troubles. > There's one more program I know that has not been ported to OS X and > that is Grasp but there are other options to draw nice electrostatics. Grasp2 runs nicely in a Windows XP installation within Virtualbox under Linux. Since Virtualbox is also available for Mac (even though only as beta1-Version) one might get it to run under MacOSX And I think one can run Windows within MacOSX anyhow? (even though in my opinion one might as well use the gimp to paint your protein red-blue and still have about the same information content, but that's only my very personal opinion). Tim -- Tim Grune Australian Synchrotron 800 Blackburn Road Clayton, VIC 3168 Australia
