MoorhenElectron

An Electron version of the Moorhen molecular graphics program.

Moorhenis a web browser molecular graphics program based on the Coot desktop program. This project is an Electron App version of Moorhen.

Build Instructions

1. git clone https://github.com/stuartjamesmcnicholas/MoorhenElectron.git
2. cd MoorhenElectron
3. npm install I have had most success with emscripten provided npm/node when doing this. YMMV.
4. cp -r node_modules/moorhen/baby-gru ./public/
cp -r node_modules/moorhen/moorhen.css ./src/
5. Build the app

• npm run make-mac-m1 to make an M1 macOS app and redistributable zip (tested on M1 Mac)
• npm run make-mac to make an Intel macOS app and redistributable zip (tested on M1 and Intel Macs)
• npm run make-linux to make an Linux macOS app and redistributable zip (tested on Linux)
• npm run package-win32 to make a Windows app (tested on Linux)

make-win32 should also work, but is not recommended since it may be desirable to replace the minimal copy of the CCP4/refmac monomer library public/baby-gru/monomers with a complete copy. Under these circumstances make-win32 hangs. One can always zip the result of package-win32 by hand.

The built app appears in the out directory:

• Mac out/Moorhen-darwin-arm64/Moorhen.app/ for M1 Mac. This can then be run with open out/Moorhen-darwin-arm64/Moorhen.app/, or opening out/Moorhen-darwin-arm64/ in Finder and double clicking on Moorhen.app, etc. The zip file is out/make/zip/darwin/arm64/Moorhen-darwin-arm64-0.1.0.zip
• Linux out/Moorhen-linux-x64/Moorhen for Linux. You can simply run this executable. The zip file is out/make/zip/linux/x64/Moorhen-linux-x64-0.1.0.zip.
• Windows out/Moorhen-win32-x64/Moorhen.exe for Windows. Building of this has only been tested on Linux, so you will neeed to copy the whole out/Moorhen-win32-x64/ directory to a Windows machine to test. The best way to do this is probably
  cd out/Moorhen-win32-x64/
zip -r Moorhen-win32-x64.zip out/Moorhen-win32-x64/
  and then copy the zip file to a Windows, machine and unzip.

Moving built files to other machines

• Mac The Mac zip files can be copied to other machines but the unzipped Moorhen.app will need to be "blessed" in order for it to run. This can be done with xattr -rc Moorhen.app .
• Linux The Linux zip file can (under most circumstances) be simply copied to another machine and unzipped. The Moorhen executable on the unzippped directory can then be run.
• Windows After zipping up the Windows folder (previous section), copy to new machine and unzip. You should be able to tun Moorhen.exe in the unpacked directory. You may need to use the --no-sandbox option.

Updating the Moorhen module (Advanced)

This project contains a snanshot of (most of) the Moorhen browser based program in the tar file moorhen-0.0.1.tgz. It is possible to replace this with a newer version.

To do this:

1. Build Moorhen, see the compilation instrations.
2. In the Moorhen build directory do:
   cd baby-gru
npm run-script build-npm-registry
cd dist
npm pack
3. Then copy the new tar file moorhen-0.0.1.tgz produced in baby-gru/dist/ into the top-level directory of this project (Moorhen Electron).
4. cd back to this project
5. rm -fr build out node_modules package-lock.json
6. Follow steps 3-5 of the Build Instruction at the top of this README.

Using a complete CCP4/Refmac monomer library(Advanced)

Before doing steps 3-5 of Build Instruction, replace public/baby-gru/monomers with a complete copy of the monomer linbrary from a CCP4 installation or from the LMB github repository. If you have already built, then do as steps 5-6 of previous section (Updating the Moorhen module).

References

• Coot
  • P. Emsley; B. Lohkamp; W.G. Scott; Cowtan (2010). Features and Development of Coot, Acta Crystallographica. D66 (4) p486–501.
• Moorhen
  • Moorhen a web browser molecular graphics program based on the Coot desktop program.
• CCP4
  • Winn MD, Ballard CC, Cowtan KD, Dodson EJ, Emsley P, Evans PR, Keegan RM, Krissinel EB, Leslie AGW, McCoy A, McNicholas SJ, Murshudov GN, Pannu NS, Potterton EA, Powell HR, Read RJ, Vagin A, Wilson KS (2011), Overview of the CCP4 suite and current developments, Acta Cryst D67, p235–242.