Capability details
What this helps you do
Analyze and convert molecular trajectories, including RMSD, solvent-accessible surface area and hydrogen bonds.
Catalog editorial description
View description sources
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Research classification
Chemical sciences
View discipline evidence
editor · 2026-09-19 — Core research task classification from pinned primary documentation. 1.4 化学科学：依据固定上游用途及所列官方补充材料作出的策展判断。项目和核心工具均限于上述用途，跨领域框架不强制收窄。
Who it is for
An intended audience has not been supplied. Check the original documentation for suitability and prerequisites.
How to use it
Follow upstream guidance and source conditions.
AIPOCH has not verified execution.
Read usage documentationInputs
- 分子动力学轨迹
Outputs
- RMSD、SASA、氢键和格式转换
Resource type
Tool
Access conditions
- LGPL-2.1-or-later
- 部分代码另有许可；轨迹分析不等于模拟引擎。
- Community indexing of core software only. External components, models, datasets and services have separate terms. Installation, scientific accuracy and suitability were not validated.
View usage information sources
Inputs
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Outputs
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Access conditions
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Documentation
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Sources & versions
- Reference role
- implementation
- Last successful public check
- 2026-09-22T08:38:42.976Z
- Latest public check attempt
- 2026-09-22T08:38:42.976Z · ok
- GitHub metrics
- Stars 735 · checked · latest attempt 2026-09-22T08:38:42.976Z (ok)
Forks 298 · checked · latest attempt 2026-09-22T08:38:42.976Z (ok) - Latest default-branch commit
- Unknown
- Source activity check
- missing · last successful check unknown · latest attempt 2026-09-22T08:38:42.976Z (unavailable)
- Source status
- Active at last observation
- License
- LGPL-2.1
- Fixed commit
0f0b1a0bdb6dbe63fefaed3d9b955e95b9e55840- Reference checked
- 2026-09-19
Default-branch activity is separate from the fixed reference above. Source terms apply. A fixed commit identifies content; it does not establish scientific validity.
Related research
Analyze and convert molecular trajectories, including RMSD, solvent-accessible surface area and hydrogen bonds.
Claims & evidence
Continue the conversation
Research questions and code contributions belong with the original project. Catalog corrections can be proposed separately.