added olex2 for MX small molecules

2025-11-19 14:54:54 +01:00
parent 677f84307f
commit 8df323db5e
4 changed files with 63 additions and 0 deletions
@@ -0,0 +1,25 @@
+XDS
+
+Step 1: login with your -adm account
+
+```
+[smith_k@ra-l-005 xds]$ kinit smith_k-adm
+[smith_k@ra-l-005 xds]$ aklog
+```
+
+Step 2: load the latest Pmodules package
+
+```
+module use unstable
+module load Pmodules/2.0.0
+```
+
+Step 3: go into olex2 directory, update config.yaml to add newest release version and build module with that release name (e.g. below is for 1.5)
+
+```
+cd olex2
+vi files/config.yaml
+./build 1.5
+```
+
+Step 4: confirm that the module loads as expected