CCP4 New Library Release: Information (Updated 20/05/02)
This document contains information about the status, content and schedule
for next release of the CCP4 software suite based on the new library.
CINCH - Crystallography IN C Headers
This is the name of the new library. You don't like it?
You think of something better....
Source code is under CVS in /ccpdisk/xtal/ccp4/lib/newsrc
- New C source code
- Legacy F code where no C equivalent
- mmdb code in subdirectory, updated periodically from Eugene's site
Wrappers for scripting languages, e.g. cmtzlib_python_wrap.c are
generated using SWIG. This lives in /ccpstaff/ccp4/mdw/cmtz/swig
If you are going to use this, you need to
setenv SWIG_LIB /ccpstaff/ccp4/mdw/cmtz/swig/swig_lib
newsrc/data contains syminfo.lib which is the new symmetry
data file. You'll need to
setenv SYMOP /ccpdisk/xtal/ccp4/lib/newsrc/data/syminfo.lib
prior to running anything. This file is generated in
/ccpstaff/ccp4/mdw/csym/gensymlib - you'll have to ask if you want to
Some documentation in newsrc/html
- ccp4_array.html - resizeable arrays from Kevin
- ccp4_parser.html - Pete's parser
creates documentation from comments in .h files and puts it in
Building and testing
In directory newsrc you have a choice of:
- make - generates full library libnewccp4.a
- make cmtz - generates partial library libcmtz.a
- make cmtz_tcl - generates Tcl module cmtz_tcl.so
- make cmtz_py - generates python module cmtzmodule.so
In /ccpdisk/xtal/irixn32-newlib/src you can type "make truncate" etc.
and this will build traditional programs linked against libnewccp4.a
What needs to be done
- Test, test, test Fortran programs against new library.
- Tidy cmtz for use with C programs
- New cmap from Charles?
- Port to all platforms.
- Write some C applications.
- Write some tcl applications.
- Write some python applications.
- Finish documenting.