Skip to main content
Ctrl+K
MolSysMT 0.11.3 documentation - Home MolSysMT 0.11.3 documentation - Home
  • About
  • Showcase
  • User guide
  • Developer guide
  • API documentation
  • AI Assistants
  • GitHub
  • About
  • Showcase
  • User guide
  • Developer guide
  • API documentation
  • AI Assistants
  • GitHub

Section Navigation

User

  • API Basic
  • API Build
  • API Topology
  • API Structure
  • API Periodic Boundary Conditions
  • API Physical and chemical properties
  • API Molecular mechanics
  • API Hbonds
  • API Element
    • API Atom
    • API Group
      • API Amino acid
      • API Ion
      • API Lipid
      • API Nucleotide
      • API Saccharide
      • API Small Molecule
      • API Terminal Capping
      • API Water
    • API Component
    • API Molecule
    • API Chain
    • API Entity
    • API Bond
  • Form
    • biopython.Seq
    • biopython.SeqRecord
    • file:bcif
    • file:bcif.gz
    • file:cif
    • file:crd
    • file:dcd
    • file:gro
    • file:h5
    • file:h5msm
    • file:inpcrd
    • file:mmtf
    • file:mol2
    • file:msmpk
    • file:pdb
    • file:prmtop
    • file:psf
    • file:trjpk
    • file:xtc
    • file:xyznpy
    • MDAnalysis.Topology
    • MDAnalysis.Universe
    • mdtraj.DCDTrajectoryFile
    • mdtraj.HDF5TrajectoryFile
    • mdtraj.Topology
    • mdtraj.Trajectory
    • mdtraj.XTCTrajectoryFile
    • mmcif.PdbxContainers.DataContainer
    • mmtf.MMTFDecoder
    • molsysmt.CIFFileHandler
    • molsysmt.GROFileHandler
    • molsysmt.H5MSMFileHandler
    • molsysmt.MolecularMechanics
    • molsysmt.MolecularMechanicsDict
    • molsysmt.MolSys
    • molsysmt.PDBFileHandler
    • molsysmt.Structures
    • molsysmt.Structures
    • molsysmt.Topology
    • networkx.Graph
    • nglview_NGLWidget
    • openmm.AmberInpcrdFile
    • openmm.AmberPrmtopFile
    • openmm.CharmmCrdFile
    • openmm.CharmmPsfFile
    • openmm.Context
    • openmm.GromacsGroFile
    • openmm.GromacsGroFile
    • openmm.Modeller
    • openmm.PDBFile
    • openmm.Simulation
    • openmm.State
    • openmm.System
    • openmm.Topology
    • parmed.Structure
    • pdbfixer.PDBFixer
    • pytraj.Topology
    • pytraj.Trajectory
    • strubg:alphafold_id
    • string:aminoacids1
    • string:aminoacids3
    • string:pdb_id
    • string:pdb_text
    • XYZ
  • Thirds
    • API NGLView
    • OpenMM
      • API Forces
      • API Forces
      • API Forces

Developer

  • _private
    • Exceptions
  • API documentation
  • Form
  • molsysmt.Structures
  • molsysmt.form.molsysmt_StructuresDict.set

molsysmt.form.molsysmt_StructuresDict.set#

Functions

set_coordinates_to_atom(item[, indices, ...])

previous

molsysmt.form.molsysmt_StructuresDict.merge

next

molsysmt.form.molsysmt_StructuresDict.to_file_trjpk
© 2025, Liliana M. Moreno Vargas, Diego Prada Gracia and contributors | UIBCDF Lab at the Children's Hospital of Mexico Federico Gómez
MolSysMT is an open source project shared under an MIT license with a structure based on the Computational Molecular Science Python Cookiecutter version 1.5

Created using Sphinx 8.2.3 | Built with the PyData Sphinx Theme 0.16.1

Contact us