I am opening this issue here, as I am unsure what project is maintained and where to get some help. My goal at the moment is to generate some pictures showing tilings of several zeolite nets, including CHA (chabazite), FAU (faujasite), MFI (silicalite-1), for illustration.
For FAU, I could find a file fau-3dt.cgd in the “3dt input files for RCSR net tilings”. I can open it in Web-Gavrog and generate nice visualisations.
For CHA, I can find the net in the Systre input data (.cgd) for RCSR nets, and load it int Web-Gavrog. But it does not have a tiling file. I tried to see if 3dt could be used to generate those, but 3dt does not launch on my computer:
Exception in thread "main" java.lang.UnsatisfiedLinkError: /Users/fx/Downloads/Gavrog-0.6.0/jogl/libjogl.jnilib: dlopen(/Users/fx/Downloads/Gavrog-0.6.0/jogl/libjogl.jnilib, 0x0001): tried: '/Users/fx/Downloads/Gavrog-0.6.0/jogl/libjogl.jnilib' (fat file, but missing compatible architecture (have 'unknown,i386,x86_64', need 'arm64')), '/System/Volumes/Preboot/Cryptexes/OS/Users/fx/Downloads/Gavrog-0.6.0/jogl/libjogl.jnilib' (no such file), '/Users/fx/Downloads/Gavrog-0.6.0/jogl/libjogl.jnilib' (fat file, but missing compatible architecture (have 'unknown,i386,x86_64', need 'arm64'))
How are tilings supposed to be generated, and saved in .cgd format? Can Web-Gavrog do that? I have not found how.
For MFI, the topology is not in the RCSR (not sure why?) or even in Epinet. I am not sure if there is a tool readily available that would produce a .cgd file from CIF and bonding specifications? Or from other formats, such as a VTF file (which we use in our group for describing nets).
I am opening this issue here, as I am unsure what project is maintained and where to get some help. My goal at the moment is to generate some pictures showing tilings of several zeolite nets, including CHA (chabazite), FAU (faujasite), MFI (silicalite-1), for illustration.
For FAU, I could find a file
fau-3dt.cgdin the “3dt input files for RCSR net tilings”. I can open it in Web-Gavrog and generate nice visualisations.For CHA, I can find the net in the Systre input data (.cgd) for RCSR nets, and load it int Web-Gavrog. But it does not have a tiling file. I tried to see if 3dt could be used to generate those, but 3dt does not launch on my computer:
How are tilings supposed to be generated, and saved in
.cgdformat? Can Web-Gavrog do that? I have not found how.For MFI, the topology is not in the RCSR (not sure why?) or even in Epinet. I am not sure if there is a tool readily available that would produce a
.cgdfile from CIF and bonding specifications? Or from other formats, such as a VTF file (which we use in our group for describing nets).