Skip to content
GitLab
Projects
Groups
Snippets
Help
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in / Register
Toggle navigation
dimorphite_dl
Project overview
Project overview
Details
Activity
Releases
Repository
Repository
Files
Commits
Branches
Tags
Contributors
Graph
Compare
Issues
2
Issues
2
List
Boards
Labels
Service Desk
Milestones
Merge Requests
0
Merge Requests
0
CI / CD
CI / CD
Pipelines
Jobs
Schedules
Operations
Operations
Environments
Analytics
Analytics
CI / CD
Repository
Value Stream
Wiki
Wiki
Snippets
Snippets
Members
Members
Collapse sidebar
Close sidebar
Activity
Graph
Create a new issue
Jobs
Commits
Issue Boards
Open sidebar
jdurrant
dimorphite_dl
Commits
99308269
Commit
99308269
authored
Nov 19, 2018
by
jdurrant
Browse files
Options
Browse Files
Download
Email Patches
Plain Diff
Updated README.md.
parent
83b8bd6f
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
3 additions
and
2 deletions
+3
-2
README.md
README.md
+3
-2
No files found.
README.md
View file @
99308269
...
...
@@ -4,8 +4,9 @@ Dimorphite-DL 1.0
What is it?
-----------
Dimorphite-DL 1.0 adds hydrogen atoms to molecular representations, as
appropriate for a user-specified pH range.
Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate
for a user-specified pH range. It is a fast, accurate, accessible, and modular
open-source program for enumerating small-molecule ionization states.
Users can provide SMILES strings from the command line or via an .smi file.
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment