update module file to highlight dependencies to cole ccp4/7.0

2026-08-24 22:48:24 +02:00
parent 4ffc1b152d
commit 431ccdbbca
1 changed files with 6 additions and 0 deletions
@@ -10,6 +10,12 @@ PanDDA 2 (pandda_2_gemmi) in a self-contained python 3.9 venv, CNN scoring
 models pre-downloaded at build time. ccp4/9.0 is auto-loaded as a runtime
 dependency for pandda.inspect / pandda.export.
 Main entry point: pandda2.analyse
+
+NOTE: classic PanDDA 1 (panddas 0.2.x, python 2) is broken in ccp4 >= 7.1;
+upstream pins it to ccp4 7.0.72 and recommends 7.0.067 for working
+pandda.inspect / pandda.export. The ccp4/9.0 versions loaded here are
+UNVERIFIED - check inspect/export results before trusting them, or use
+PanDDA2Inspect (https://github.com/ConorFWild/PanDDA2Inspect).
 "

 setenv          PANDDA2_ENV   $PREFIX/venv