How to get started ------------------ To get more information about the installation read the documentation in man/viewmol.html or man/viewmol.pdf. Precompiled binaries can be found as additional tgz-files at the same place where this file has been found. Binaries are available for a number of operating systems. For Linux there are binaries linked with shared libraries as well as binaries where Motif has been statically linked. These binary distributions should be unpacked from the same directory this file was unpacked. They will then install the binaries in viewmol-2.2.1/source/ where is the name of your OS (the output of the uname -s command) and a possible extension specifying your CPU. If you are using a different, but binary compatible CPU (e.g. MIPS R8000 or R10000 instead of R5000) please rename the directory accordingly - otherwise Viewmol will not be able to find some of its input filters. Directory naming scheme: OS name CPU type Name of directory for binaries (uname -s) (hinv on IRIX) -------------------------------------------------------------------------------- Linux all Linux FreeBSD all FreeBSD AIX RS1, PowerPC AIX_POWER RS2 (390, 590) AIX_POWER2 IRIX R3000 IRIX_R3000 R4000 IRIX_R4000 R4400 IRIX_R4400 R4600 IRIX_R4600 R5000 IRIX_R5000 R8000 IRIX64_R8000 R10000 IRIX64_R10000 OSF1 all OSF1 HP-UX all HP-UX SunOS all SunOS In addition to the tgz files there is also a rpm file for RedHat Linux at the same location where this file was found. The rpm file contains all the files necessary to use Viewmol. A directory with examples of all file formats Viewmol is able to read is included. After installing the program you can change into any of the directories under examples (e. g. examples/gaussian) and call viewmol without parameters. You will get a file selection dialog where you can select a file name (e. g. h2o.log) and after you click OK you should get a molecule drawing if all is correct. This file contains a list of all files belonging to the Viewmol program. Further distribution of Viewmol is only permitted if all these files are distributed. Jörg-Rüdiger Hill (jrh@qc.ag-berlin.mpg.de) List of files: -rw-r--r-- 1 jrh users 17440 May 31 18:30 README -rw-r--r-- 1 jrh users 29726 May 28 15:01 Xdefaults.english -rw-r--r-- 1 jrh users 30965 May 28 15:01 Xdefaults.french -rw-r--r-- 1 jrh users 30948 May 28 15:01 Xdefaults.german -rw-r--r-- 1 jrh users 34487 May 28 15:01 Xdefaults.russian drwxr-xr-x 2 jrh users 1024 May 28 15:01 babel drwxr-xr-x 9 jrh users 1024 May 28 15:01 examples drwxr-xr-x 5 jrh users 1024 May 31 18:13 kde drwxr-xr-x 3 jrh users 1024 May 28 15:01 man -rwxr-xr-x 1 jrh users 12562 May 28 15:01 readdmol -rwxr-xr-x 1 jrh users 6892 May 28 15:01 readgulp drwxr-xr-x 2 jrh users 2048 May 31 18:30 source -rw-r--r-- 1 jrh users 6605 May 28 15:01 viewmolrc -rwxr-xr-x 1 jrh users 2130 May 28 15:01 writecar -rwxr-xr-x 1 jrh users 1996 May 28 15:01 writemol -rwxr-xr-x 1 jrh users 1296 May 28 15:01 writetm babel: -rw-r--r-- 1 jrh users 5011 May 28 15:01 Makefile -rw-r--r-- 1 jrh users 687 May 28 15:01 README -rw-r--r-- 1 jrh users 31764 May 28 15:01 babel.h -rw-r--r-- 1 jrh users 6449 May 28 15:01 bblmast.h -rw-r--r-- 1 jrh users 8369 May 28 15:01 bbltyp.h -rw-r--r-- 1 jrh users 2377 May 28 15:01 rdvm.c -rw-r--r-- 1 jrh users 941 May 28 15:01 wrvm.c examples: drwxr-xr-x 2 jrh users 1024 May 28 15:01 discover drwxr-xr-x 2 jrh users 1024 May 28 15:01 dmol drwxr-xr-x 2 jrh users 1024 May 28 15:01 gaussian drwxr-xr-x 2 jrh users 1024 May 28 15:01 gulp drwxr-xr-x 2 jrh users 1024 May 28 15:01 mopac drwxr-xr-x 2 jrh users 1024 May 28 15:01 pdb drwxr-xr-x 2 jrh users 1024 May 28 15:01 turbomole examples/discover: -rw-r--r-- 1 jrh users 1322 May 28 15:01 benzene.cor -rw-r--r-- 1 jrh users 32633 May 28 15:01 benzene.hessian examples/dmol: -rw-r--r-- 1 jrh users 128485 May 28 15:01 GaAs.outmol examples/gaussian: -rw-r--r-- 1 jrh users 54589 May 28 15:01 h2o.log -rw-r--r-- 1 jrh users 61407 May 28 15:01 methanol.log -rw-r--r-- 1 jrh users 107751 May 28 15:01 mmdc1.log examples/gulp: -rw-r--r-- 1 jrh users 88817 May 28 15:01 urea.out examples/mopac: -rw-r--r-- 1 jrh users 51788 May 28 15:01 adamantane.gpt -rw-r--r-- 1 jrh users 236053 May 28 15:01 adamantane.out examples/pdb: -rw-r--r-- 1 jrh users 46851 May 28 15:01 fau1.pdb -rw-r--r-- 1 jrh users 11778 May 28 15:01 gpc.pdb -rw-r--r-- 1 jrh users 2374 May 28 15:01 octa.pdb examples/turbomole: -rw-r--r-- 1 jrh users 535 May 28 15:01 basis -rw-r--r-- 1 jrh users 95363 May 28 15:01 control -rw-r--r-- 1 jrh users 4501 May 28 15:01 coord -rw-r--r-- 1 jrh users 28481 May 28 15:01 mo12 kde: -rw-r--r-- 1 jrh users 247 May 28 15:01 README drwxr-xr-x 3 jrh users 1024 May 28 15:01 applnk drwxr-xr-x 2 jrh users 1024 May 28 15:01 icons -rwxr-xr-x 1 jrh users 1577 May 31 18:13 install drwxr-xr-x 3 jrh users 1024 May 31 18:20 mimelnk kde/applnk: drwxr-xr-x 2 jrh users 1024 May 28 15:01 Applications kde/applnk/Applications: -rw-r--r-- 1 jrh users 404 May 28 15:01 viewmol.kdelnk kde/icons: -rw-r--r-- 1 jrh users 1580 May 28 15:01 gulp.xpm -rw-r--r-- 1 jrh users 1243 May 28 15:01 molecule.xpm -rw-r--r-- 1 jrh users 1594 May 28 15:01 pdb.xpm -rw-r--r-- 1 jrh users 7354 May 28 15:01 qc.xpm -rw-r--r-- 1 jrh users 7269 May 28 15:01 viewmol.xpm kde/mimelnk: drwxr-xr-x 2 jrh users 1024 May 31 16:32 chemical -rw-r--r-- 1 jrh users 1622 May 31 18:20 magic kde/mimelnk/chemical: -rw-r--r-- 1 jrh users 200 May 28 15:01 x-dmol.kdelnk -rw-r--r-- 1 jrh users 201 May 28 15:01 x-gaussian-output.kdelnk -rw-r--r-- 1 jrh users 184 May 28 15:01 x-gulp.kdelnk -rw-r--r-- 1 jrh users 201 May 28 15:01 x-mopac.kdelnk -rw-r--r-- 1 jrh users 193 May 28 15:01 x-msi-car.kdelnk -rw-r--r-- 1 jrh users 162 May 28 15:01 x-msi-hessian.kdelnk -rw-r--r-- 1 jrh users 165 May 28 15:01 x-msi-mdf.kdelnk -rw-r--r-- 1 jrh users 160 May 28 15:01 x-msi-msi.kdelnk -rw-r--r-- 1 jrh users 165 May 28 15:01 x-pdb.kdelnk -rw-r--r-- 1 jrh users 171 May 28 15:01 x-turbomole-basis.kdelnk -rw-r--r-- 1 jrh users 206 May 28 15:01 x-turbomole-control.kdelnk -rw-r--r-- 1 jrh users 211 May 28 15:01 x-turbomole-coord.kdelnk -rw-r--r-- 1 jrh users 170 May 28 15:01 x-turbomole-grad.kdelnk -rw-r--r-- 1 jrh users 184 May 28 15:01 x-turbomole-scfmo.kdelnk -rw-r--r-- 1 jrh users 191 May 28 15:01 x-turbomole-vibrational.kdelnk man: drwxr-xr-x 2 jrh users 2048 May 28 15:01 html -rw-r--r-- 1 jrh users 1711 May 28 15:01 viewmol.html -rw-r--r-- 1 jrh users 214895 May 28 15:01 viewmol.pdf man/html: -rw-r--r-- 1 jrh users 3823 May 28 15:01 bondform.gif -rw-r--r-- 1 jrh users 2488 May 28 15:01 cellform.gif -rw-r--r-- 1 jrh users 3922 May 28 15:01 coloreditor.gif -rw-r--r-- 1 jrh users 4546 May 28 15:01 configurationform.gif -rw-r--r-- 1 jrh users 5977 May 28 15:01 content.html -rw-r--r-- 1 jrh users 78 May 28 15:01 cross_ref_motif.gif -rw-r--r-- 1 jrh users 115 May 28 15:01 downarrow.gif -rw-r--r-- 1 jrh users 2569 May 28 15:01 error.gif -rw-r--r-- 1 jrh users 87 May 28 15:01 foot_motif.gif -rw-r--r-- 1 jrh users 2509 May 28 15:01 footnode.html -rw-r--r-- 1 jrh users 1996 May 28 15:01 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15:01 getmem.c -rw-r--r-- 1 jrh users 16539 May 28 15:01 getrc.c -rw-r--r-- 1 jrh users 25414 May 28 15:01 glwdraw.c -rw-r--r-- 1 jrh users 11557 May 28 15:01 hardcopy.c -rw-r--r-- 1 jrh users 15515 May 28 15:01 hpgl.c -rw-r--r-- 1 jrh users 10291 May 28 15:01 inert.c -rw-r--r-- 1 jrh users 28383 May 28 15:01 init.c -rw-r--r-- 1 jrh users 38461 May 28 15:01 input.c -rw-r--r-- 1 jrh users 2606 May 28 15:01 insint.c -rwxr-xr-x 1 jrh users 1465 May 31 17:01 install -rw-r--r-- 1 jrh users 7129 May 28 15:01 intern.c -rw-r--r-- 1 jrh users 12759 May 28 15:01 isotopes.h -rw-r--r-- 1 jrh users 4272 May 28 15:01 makemenu.c -rw-r--r-- 1 jrh users 1848 May 28 15:01 maketics.c -rw-r--r-- 1 jrh users 2528 May 28 15:01 manual.c -rw-r--r-- 1 jrh users 23012 May 28 15:01 marcub.c -rw-r--r-- 1 jrh users 1104 May 28 15:01 marcub.h -rw-r--r-- 1 jrh users 4650 May 28 15:01 matrix.c -rw-r--r-- 1 jrh users 1545 May 28 15:01 menu.h -rw-r--r-- 1 jrh users 9398 May 28 15:01 menudef.h -rw-r--r-- 1 jrh users 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