Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Add AM1-BCC to style guide #17

Open
wants to merge 1 commit into
base: main
Choose a base branch
from
Open

Add AM1-BCC to style guide #17

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
1 change: 1 addition & 0 deletions Writing/StyleGuide.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -26,6 +26,7 @@ But some issues are worth addressing specifically within the group because they
- "Van der Waals": Describes the physical interaction/behavior, in contrast to Lennard-Jones, a particular potential function which can be used to describe this interaction.
- "Pose": Usually used to discuss a static placement of a ligand/small molecule in a receptor. Refers primarily to the placement of the small molecule, NOT to the structure of the receptor.
- "Binding mode": Refers to the overall placement/orientation/conformation of a small molecule bound to a receptor, and gives a less static picture than the word "pose". With care, the idea of "binding mode" can be generalized to include the relevant receptor conformation(s), bound waters, etc. It can also include a group of relevant microstates that correspond to a metastable state.
- "AM1-BCC", not "AM1BCC"
- OpenFF-specific terms:
- Capitalize the first letter of each word in a compound word software name released by OpenFF:
- "BespokeFit" is the name of the package for fitting custom torsions
Expand Down