I have pdb file with multiple chains. Any easy to run script that can go over chains and cap each end with ACE/NME without causing substantial clashes? Is there a scripted tool to add neutral terminal caps (e.g. NME, ACE) to peptide chains for use with AMBER forcefields? Yes! Look no further.
active 2023-11-24 → 2025-02-22 (UTC)
Activity over time
Daily event counts in the loaded window
Line chart, 457 days from 2023-11-24 to 2025-02-22. Pushes: 19 total, peak 13 in a day. Pull requests: 0 total, peak 0 in a day. Issues: 0 total, peak 0 in a day. Comments: 0 total, peak 0 in a day. Stars: 1 total, peak 1 in a day.
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Top contributors
Pushes, PRs, issues, reviews and comments — stars and forks excluded, so this is contribution rather than popularity
| Contributor | Contributions | Pushes | PRs | Comments |
|---|---|---|---|---|
| Heezch | 19 | 19 | 0 | 0 |
Recent activity
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No issue or PR events — this repo's activity is pushes only.
Totals cover only the window loaded into ClickHouse and count events, not GitHub's lifetime totals — 1 stars here means stars gained during the window, not the repo's star count.