From arne@mango.mef.ki.se Mon Apr 19 09:35:11 1993 From: arne@mango.mef.ki.se (Arne Elofsson) Message-Id: <9304190935.AA30616@mango.mef.ki.se> To: suwinski@gleto2.gliwice.edu.pl Subject: Re: NMR calculation. Date: Mon, 19 Apr 93 09:35:11 +0000 These features exist in many different programs. There are a lot of commercial software, e.g. from biosym and molecular simulations. For free software try X-plor from Axel Brunger. "brunger@newton.biology.yale.edu" I think the fee is $200 for academia. You can also try to contact Carol Post. "Dep. of Med. Chemistry. Purdue Univerity, West lafayette, IN 47907, USA." If you are using charmm or might do some work of your own I have a subroutine that does this. arne arne@mango.mef.ki.se From markm@portal.vpharm.com Mon Apr 19 12:41:16 1993 From: markm@portal.vpharm.com (Mark Murcko) Message-Id: <9304192041.AA11153@portal.vpharm.com> Subject: B&W postscript output... To: chemistry@ccl.net Date: Mon, 19 Apr 93 16:41:16 EDT This may seem like a silly question, but what do people use for black & white postscript output? We are trying to put together a B&W figure for a manuscript (in a journal that doesn't accept color). We are trying to: vary the line thickness, use solid/dashed lines, add some text, put spheres around some (not all) atoms, and generate the final image in side-by-slide stereo. Both Quanta and Insight are very difficult to use for generating output -- some options, but not enough, and very hard to control or adjust. (If anyone from Biosym or MSI cares to argue, they should call me...) I am interested in what people do in cases like this. I will summarize responses as I imagine that this is practically a FAQ. / Mark From raman@bioc01.uthscsa.edu Mon Apr 19 15:18:54 1993 From: raman@bioc01.uthscsa.edu (C.S.RAMAN) Message-Id: <9304200118.AA05182@bioc01.uthscsa.edu> Subject: Re: B&W postscript output... To: markm@portal.vpharm.com (Mark Murcko) Date: Mon, 19 Apr 1993 20:18:54 -0500 (CDT) Mark In one of my recent postings I did mention a package called MOLSCRIPT that is designed to do exactly what you are asking! I will post tomorrow on how you can contact the author of this package. If you haven't seen my recent posting, let me know and I can send you a copy! P.S. I am assuming that you are interested in obtaining B&W PS output of protein structures from their respective PDB files! -- C.S.Raman raman@bioc01.uthscsa.edu - Internet UNIX Programming & Administration 70412.2354@compuserve.com - CIS SPARC & SGI Systems raman@hermes.chpc.utexas.edu - CHPC Department of Biochemistry craman@launchpad.unc.edu 7703 Floyd Curl Dr. (210) 567-6623 [Tel] San Antonio, TX 78284-7760 (210) 567-6595 [Fax] ****************************************************************************** All Science is either Physics or stamp collecting -E.Rutherford ******************************************************************************