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updated run instructions
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@tdudgeon
tdudgeon committed Jan 26, 2024
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Expand Up @@ -26,9 +26,8 @@ If you won't run this at Diamond, you will first have to set up your environment
If you are uploading your data from diamond light source then this is as simple as running the commands:

```commandline
source /dls/science/groups/i04-1/conor_dev/xchem-align/act
conda activate /dls/science/groups/i04-1/conor_dev/xchem-align/env_xchem_align
export PYTHONPATH=/dls/science/groups/i04-1/conor_dev/xchem-align/src:$PYTHONPATH
source /dls/science/groups/i04-1/software/xchem-align/act
conda activate /dls/science/groups/i04-1/software/xchem-align/env_xchem_align
```

## 2. Declaring things
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