Downloading and upgrading SOLVE/RESOLVE
The current version of the SOLVE/RESOLVE package is version 2.13.
Please note: One license is good for all machines at your institution for all versions from 2.00 to 2.99 (it goes in "solve2.access" and the upgrade is free for academic/non-profits)
There are three easy parts to installing SOLVE/RESOLVE on your system:
- you need to figure out which version of SOLVE/RESOLVE matches your system
- you need to copy a compressed file to your computer, uncompress it, and run install.csh to put the files in the right places on your system and set up solvehelp (a link to the local version of the manual).
- you need to put the "solve2.access" file you get from us by email in the right place on your system
Once you have SOLVE/RESOLVE installed you can view the manuals just by typing "solvehelp".
1. First you need to choose the file that matches your computer. If none does, then you can get a version compiled on your computer directly by emailing me at "terwilliger@lanl.gov". Each download file contains "solve" and "solve_giant" and "solve_huge". Same for RESOLVE. The giant-size and even bigger huge versions are for huge unit cells and are not usually necessary. Also if you have a really enormous unit cell you may need an even bigger version which you can receive by emailing me directly.
| If your computer is a... | Then copy this file (NOTE: you can access these with http only; no ftp access is available)... |
| Alpha running Digital (Tru-64) Unix | solve-2.13-alpha.tar.gz |
| SGI (R5000 or higher, most Octanes) | solve-2.13-sgi.tar.gz |
| linux (Red Hat 7.3 or Fedora 3 or higher on Pentium III or higher) | solve-2.13-linux.tar.gz |
| linux (64 bit) | solve-2.13-linux-64.tar.gz |
| Mac OSX (Tiger) Thanks to Luca Jovine and Ralf Grosse-Kunstleve! | |
| All other machines (and some SGI Octanes which won't run SGI version of SOLVE) | email terwilliger@lanl.gov for source to compile on your machine. |
2. Here is how to get the file containing the SOLVE and RESOLVE programs from the web, uncompress it, and put the files in the right places on your system. (Note that you can substitute any directory you want for "/usr/local/lib/solve" in the install.csh script and then set the environmental variable SOLVEDIR to point to that directory in everyone's .login or .login_custom file.)
- Make the directory /usr/local/lib/solve on your computer and get into it as "root"
- Click on the http links above or this one to download the file you need:
- If this does not work, then there is one more option if you have wget on your system: you can get these files from the command line like this (note that there is unfortunately no ftp service on this server):
wget "https://solve.lanl.gov/pub/solve/2.13/solve-2.13-linux.tar.gz"
- Then uncompress and extract the files:
gunzip solve*.gz tar xof solve*.tar
- install SOLVE by running install.csh (after editing it if you wish):
cd solve-2.13/ ./install.csh
- Please note: on some systems the binaries supplied use shared libraries. If your system does not have the shared libraries you will get an error message when you run the programs. The solution is to compile the program on your own machine. Just email terwilliger@lanl.gov and I'll send you instructions.
- You are just about ready to go. Now you can run SOLVE or RESOLVE (usually in /usr/local/bin/solve and /usr/local/bin/resolve) for regular-size runs, and solve_giant and resolve_giant or the bigger solve_huge and resolve_huge for huge unit cells.
- Now this directory also has in it all the symmetry files
- This directory also has the local on-line manual. You can access the on-line manual just by typing "solvehelp" now. (It may only take effect after you log in again).
- Change for versions 2.08 and higher: RESOLVE uses the CCP4 version 5 libraries. In your scripts you will now want to specify both SYMOP (as in earlier versions) and SYMINFO. These are located in the same place. If you use the ones supplied with SOLVE/RESOLVE, they are located in:
setenv SYMOP /usr/local/lib/solve/symop.lib setenv SYMINFO /usr/local/lib/solve/syminfo.lib
- Finally, you need to set the CCP4_OPEN environmental variable. Put in your .login_custom or else at the beginning of all files to run SOLVE the following command. (It allows ccp4 routines to overwrite existing files. If you don't do this SOLVE will stop the second time you run it when it tries to open solve.mtz)
- setenv CCP4_OPEN UNKNOWN # for sh or csh shells
- export CCP4_OPEN=UNKNOWN # for bash or ksh shells
- You may also wish to set the environmental variable SOLVEDIR which tells SOLVE and RESOLVE where to look for solve2.access and symmetry files. (Change the directory if you don't use the default one.)
- setenv SOLVEDIR /usr/local/lib/solve/ # for sh or csh shell
- export SOLVEDIR=/usr/local/lib/solve/ # for bash or ksh shells
- You are now ready to go as soon as your solve2.access file is ready
3. Here is how to set up your solve2.access file. After your license is completed you should receive an email from us with the two lines of information for the solve2.access file. (Note that the old solve.access file for version 1 won't work any more.) They will look like:
License for SOLVE/RESOLVE version 2 expiring 01-jan-03 X89A943951
- There should be exactly 10 characters left justified on the second line. This is the access code.
- Please note: There must be a carriage return at the end of the second line of solve2.access for RESOLVE to read it correctly.
- Put the 2 lines into a file called "solve2.access" and put this file in the directory /usr/local/lib/solve or else in the directory named by the environmental variable SOLVEDIR. (See "Intro/Getting Started/The SOLVEDIR environmental variable" for more information on setting that variable.)
- You are ready to go. You should be able to run SOLVE by typing "solve" from any directory if your path is set up to look in /usr/local/bin for programs. You can always type "/usr/local/bin/solve" to run SOLVE if your path isn't set.
If you have problems getting SOLVE/RESOLVE going then:
- try again a couple times following the instructions as closely as possible
- check that the machine you are working on matches the file you have copied
- email me for help at terwilliger@lanl.gov