From: "Adam W. Divelbiss" To: hyperchem@hyper.com Subject: New way to view HyperChem models in stereo Date: Mon, 14 Dec 1998 15:48:26 -0500 There is a new way to view HyperChem molecular models in stereoscopic 3D on SGI workstations. VRex, Inc. has a new plug-and-play 3D stereoscopic projection system, the VR-2210 that works very well with SGI workstations running HyperChem. The projector makes it possible for groups of people to view HyperChem models easily and comfortably in flicker-free stereoscopic 3D. Displaying images in stereoscopic 3D makes it easier to see details that are lost in ordinary 2D displays. Stereoscopic 3D enhances "3D rendering" by adding depth information to the perspective view. The result is an image that not only has 3D perspective but that also appears to float in space inside and in front of the screen. Stereoscopic 3D makes crystal clear which atoms are in front and which are behind in any molecular model. The projector is portable and uses passive polarized glasses. It works well for audiences of up to 200 people and can be used in classrooms, labs, and conference settings or for any other type of technical presentation. VRex's website is http://www.vrex.com and the phone number is (914) 345-8877. An application note that explains how to use the VR-2210 with HyperChem 4.5 for the SGI is available at http://www.vrex.com/apps/html/hyperchem_4.5.html. The procedure to enable stereo viewing in HyperChem 4.5 is simple and involves clicking the Hardware stereo check box in the Stereo Options dialog under the Display|Rendering menu. From: quang le To: hyperchem@hyper.com Subject: mol2 file with charges Date: Sat, 12 Dec 1998 06:42:19 +0800 (SGT) Dear HyperChemists, I used AM1 (HyperChem 5.01) to calculate charges for ketoprofen. When I saved it as keto.ml2, all of the charges are converted back to zeroes. Which commands should I use to add charges to mol2 file? Thanks in advance. Quang Le DO YOU YAHOO!? Get your free @yahoo.com address at http://mail.yahoo.com From: Marcio Cyrillo - pos To: hyperchem@hyper.com (HyperChem list) Subject: mopac6 Date: Wed, 2 Dec 1998 16:37:14 -0200 (BDB) Dear all, If you are interested in MOPAC6 new features, have a look at: http://www.ifi.unicamp.br/~cyrillo/mopac6 regards, Marcio. From: Marcio Cyrillo - pos To: hyperchem@hyper.com (HyperChem list) Subject: mopac6 Date: Wed, 2 Dec 1998 16:37:14 -0200 (BDB) Dear all, If you are interested in MOPAC6 new features, have a look at: http://www.ifi.unicamp.br/~cyrillo/mopac6 regards, Marcio. From: John Michelsen To: "'hyperchem@hyper.com'" Subject: reactive hydrocarbon potential Date: Wed, 2 Dec 1998 10:15:32 -0800 Hello all, I've put the fortran executable for an interactive version of the brenner hydrocarbon potential using HyperChem 5.1 on http://www.zyvex.com/DiamondCAD.html#reactions under http://www.zyvex.com/DCAD/brenner.zip I tried it out with the free HyperChem demo program and it worked, though the HC demo starts up very slowly and it cuts you off after ten minutes or so on Win98. John Michelsen