---
name: "mdinspect"
section: "1"
platform: "linux"
package: "python3-mdtraj"
version: "1.10.3-2+b1"
release: "Debian 13 (Trixie)"
platforms: ["linux"]
url: "https://new.carta.tech/mdinspect"
---

# mdinspect(1)

sanity checking for molecular dynamics trajectories

## NAME

mdinspect - sanity checking for molecular dynamics trajectories

## DESCRIPTION

usage: mdinspect \[-h\] \[-t TOPOLOGY\] \[--bond-low BOND\_LOW\]

-

  \[--bond-high BOND\_HIGH\] \[--rmsd-tolerance RMSD\_TOLERANCE\] files \[files ...\]

Sanity checking for molecular dynamics trajectories. This script is currently a work in progress. Contributions are encouraged.

### positional arguments:

- files

  Input trajectory file(s), in any supported format.

### optional arguments:

- **-h**, **--help**

  show this help message and exit

- **-t** TOPOLOGY, **--topology** TOPOLOGY

  Topology for the system (.prmtop/.pdb)

- **--bond-low** BOND\_LOW

  Minimum fraction of sum of covalent radii for bonded atoms. Default=0.4

- **--bond-high** BOND\_HIGH

  Maximum fraction of sum of covalent radii for bonded atoms. Default=1.2

- **--rmsd-tolerance** RMSD\_TOLERANCE

  Maximum tolerance for percent change in RMSD. Default=100.0