diff --git a/notebooks/API_Training_Exercises/01_Simple_Report.ipynb b/notebooks/API_Training_Exercises/01_Simple_Report.ipynb index 34dafc5..4bfc560 100644 --- a/notebooks/API_Training_Exercises/01_Simple_Report.ipynb +++ b/notebooks/API_Training_Exercises/01_Simple_Report.ipynb @@ -23,11 +23,11 @@ "# International Report\n", "\n", "This notebook talks through how to create a report that reports a CSD entry ... but uses google translate to translate headings into the language of user choice.\n", - "You could use the ideas her to convert the 'simple_report.py script into an international report\n", + "You could use the ideas here to convert the 'simple_report.py script into an international report\n", "\n", "#### Prerequisites\n", "\n", - "First install the CSD Python API and googletrans into your conda or pip environment. This should only be needed the before you run the script." + "First install the CSD Python API and googletrans into your conda or pip environment. This should only be needed before you run the script." ] }, { diff --git a/scripts/show_semiconductor_properties/ReadMe.md b/scripts/show_semiconductor_properties/ReadMe.md index 8634c4e..8ffd35e 100644 --- a/scripts/show_semiconductor_properties/ReadMe.md +++ b/scripts/show_semiconductor_properties/ReadMe.md @@ -1,7 +1,23 @@ -# Descs Data Plot Readme +# Descs Data Plot + +## Summary Only works for 2024.3 onwards, please see for more details on the properties. -Download the whole directory and place it in the ccdc-sfotware/mercury/scripts/ folder to make use of it, it +The script will display the properties for the structure currently loaded in the Mercury window when launched from the csd-python-api dropdown in Mercury + +## Licensing Requirements + +- CSD-Core + +## Instructions on Running + +Download the whole directory and place it in the ccdc-sfotware/mercury/scripts/ folder to make use of it + +## Author + +C. Kingsbury 2024 + +For feedback or to report any issues please contact [support@ccdc.cam.ac.uk](mailto:support@ccdc.cam.ac.uk) \ No newline at end of file diff --git a/scripts/voids_search/Readme.md b/scripts/voids_search/Readme.md index 64f92b1..fa92864 100644 --- a/scripts/voids_search/Readme.md +++ b/scripts/voids_search/Readme.md @@ -1,17 +1,33 @@ # Void Search -Script for searching the structures in the CSD for void properties pre-calculated with PoreAnalyser. Can be run on the command line with: +## Summary + +Script for searching the structures in the CSD for void properties pre-calculated with PoreAnalyser. When the script is run from Mercury, it will launch a dialog box with properties to search on, and spaces to fill in queries. +These query boxes accept values like "200-300" or ">5" to constrain the search. A .tsv file is written with the search results, and the table is displayed in the Data Analysis tab; non-Ascii +characters in chemical names will be deleted. +A .gcd file of refcodes in the search results is also written, and read into Mercury + +## Requirements + +- Requires a minimum of CSD 2025.2 + +## Licensing Requirements + +- CSD-Core + +## Instructions for use + +Can be run on the command line with: ```python python void_search.py ``` or by launching from the CSD Python API dropdown in Mercury. If Launching from Mercury, put the script, with the accompanying search_result_template.html file, in your /mercury/scripts folder, -or use the options dialog to "Add Location" to where you have saved the script. When the script is run, it will launch a dialog box with properties to search on, and spaces to fill in queries. -These query boxes accept values like "200-300" or ">5" to constrain the search. A .tsv file is written with the search results, and the table is displayed in the Data Analysis tab; non-Ascii -characters in chemical names will be deleted. -A .gcd file of refcodes in the search results is also written, and read into Mercury +or use the options dialog to "Add Location" to where you have saved the script. ## Author -Chris Kingsbury +Chris Kingsbury (2025) + +For feedback or to report any issues please contact [support@ccdc.cam.ac.uk](mailto:support@ccdc.cam.ac.uk) \ No newline at end of file