molprisma 1.0.1

Tool for fast inspection of PDB molecular files inside the terminal

MolPrisma

This is a tool for fast inspection of PDB molecular files inside the terminal. It is very lightweight, its only dependency being the Prisma TUI framework (which itself has no dependencies for Linux).

Quickstart

pip install molprisma
molprisma your_file.pdb

Features

• Use the UP,DOWN,PREVPAGE,NEXTPAGE, - (top) and + (end) keys to quickly nagivate through the PDB rows.
• Use the LEFT and RIGHT keys to highlight a concrete PDB section (i.e. column) and see their indices/name (according to the standard).
  • Visual separation of the PDB sections via colors also helps to easily spot offset issues.
• Show/hide whole groups of rows via a simple key press:
  • 1: Toggle between showing all or showing nothing.
  • 2: Toggle the atoms (lines starting with ATOM).
  • 3: Toggle the heteroatoms (lines starting with HETATM).
  • 4: Toggle the metadata (everything else not considered by 2 or 3). It is hidden by default.
• Filter out rows that don't match a specific combination of values.
  • a: Alternate atom_name value to filter.
  • r: Alternate residue_name value to filter.
  • e: Alternate element_id value to filter.
  • c: Alternate segment_id (a.k.a chain) value to filter.
  • i: Alternate residue_insertion_code value to filter.
  • l: Alternate altloc (i.e. alternate location indicator) value to filter.
• Reset the shown/hidden groups and the filters at any moment by pressing k.