From chemistry-request ":at:" server.ccl.net Thu Sep 9 11:45:31 1999 Received: from zeus.imim.es (zeus.imim.es [193.144.6.111]) by server.ccl.net (8.8.7/8.8.7) with SMTP id LAA20779 for ; Thu, 9 Sep 1999 11:39:03 -0400 Received: by zeus.imim.es (950413.SGI.8.6.12/950213.SGI.AUTOCF) for chemistry*- at -*ccl.net id RAA02340; Thu, 9 Sep 1999 17:35:21 -0700 Date: Thu, 9 Sep 1999 17:35:21 -0700 From: Jordi Villa Message-Id: <199909100035.RAA02340&$at$&zeus.imim.es> To: chemistry -8 at 8- ccl.net Subject: GRASP/DELPHI format Dear all, we are interested in a routine to generate GRASP files from a previously calculated property at a grid of points. We have seen in the GRASP web page that the possible file to do this will have the format of a DelPhi binary potential map file. This can be found in http://honiglab.cpmc.columbia.edu/grasp/grasp_contents.html#read However, we have problems in understanding the meaning of some of the variables. Has anybody created such a routine? Jordi Villa