Geoff Hutchison 🧪💻
Avogadro General DiscussionIn Avogadro 1, we included some example files. For example, on Mac:
Example Files:
| | |
|--- | ---|
|1CRN.pdb | graphite.xyz|
|2HHB.pdb.gz | morphine.cml|
|benzene.fchk | nanotube.xyz|
|c60.fchk | Pt <110>|
| caffeine.g03| tpy-Ru.sdf|
| | VitaminC.fchk|
First off .. do you think it would be a good idea on Mac and Windows (and a download for Linux) to include some example molecules?
If so, what are some examples to include? How many? 10? 20? 100?
Discuss this on our forum.
Discuss this on our forum.
Including Example Files on Mac / Windows
In Avogadro 1, we included some example files. For example, on Mac: Example Files: 1CRN.pdb graphite.xyz 2HHB.pdb.gz morphine.cml benzene.fchk nanotube.xyz c60.fchk Pt <110> caffeine.g03 tpy-Ru.sdf VitaminC.fchk First off … do you think it would be a good idea on Mac and Windows (and a download for Linux) to include some example molecules? If so, what are some examples to include? How many? 10? 20? 100?