Skip to main content
Help the Python Software Foundation raise $60,000 USD by December 31st!  Building the PSF Q4 Fundraiser

Lightweight coordinate-only trajectory reader based on code from GROMACS, MDAnalysis, VMD.

Project description

Lightweight coordinate-only trajectory reader based on code from [GROMACS](, [MDAnalysis]( and [VMD](

Used for coordinate retrieval in [MDSrv]( and [nglview](

Should work with Python 2 and 3. If you experience problems, please file an [issue](


From PyPI:

pip install simpletraj


For reading .netcdf trajectory files the netCDF4 package is needed. As installing it can prove difficult, it is not a required package and must be installed separately.

If you use conda as your Python package manager:

conda install netcdf4

To install the NetCDF libraries and its Python package on debian/ubuntu:

sudo apt-get install libhdf5-serial-dev libnetcdf-dev pip install netCDF4

In case you get “ValueError: did not find HDF5 headers” try:

sudo su find / -name “libhdf5*.so*” # use what the above ‘find’ suggests to set ‘HDF5_DIR’ export HDF5_DIR=/usr/lib/i386-linux-gnu/hdf5/serial/ pip install netCDF4


Version 0.4 and 0.5

  • FIX: Python 3 compatibility (iter/iteritems)

Version 0.3

  • FIX: DCD Python 2 compatibility

Version 0.2

  • ADD: package ready for PyPI
  • CODE: Python 3 compatibility
  • CODE: handle errors during offsets file reading/writing

Version 0.1

initial version (no release)


Generally GPL2, see the LICENSE file for details.

Project details

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Files for simpletraj, version 0.5
Filename, size File type Python version Upload date Hashes
Filename, size simpletraj-0.5.tar.gz (87.7 kB) File type Source Python version None Upload date Hashes View

Supported by

Pingdom Pingdom Monitoring Google Google Object Storage and Download Analytics Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN DigiCert DigiCert EV certificate StatusPage StatusPage Status page