EnglishFrenchSpanish

OnWorks favicon

chemfiles to run in Linux online download for Linux

Free download chemfiles to run in Linux online Linux app to run online in Ubuntu online, Fedora online or Debian online

This is the Linux app named chemfiles to run in Linux online whose latest release can be downloaded as Version0.8.0.zip. It can be run online in the free hosting provider OnWorks for workstations.

Download and run online this app named chemfiles to run in Linux online with OnWorks for free.

Follow these instructions in order to run this app:

- 1. Downloaded this application in your PC.

- 2. Enter in our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.

- 3. Upload this application in such filemanager.

- 4. Start the OnWorks Linux online or Windows online emulator or MACOS online emulator from this website.

- 5. From the OnWorks Linux OS you have just started, goto our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.

- 6. Download the application, install it and run it.

chemfiles to run in Linux online


Ad


DESCRIPTION

Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more.

Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is
- unified: the same code will work with all the supported formats;
- simple: the interface is easy to use and extensively documented.


This is only a mirror of the main repository, development of chemfiles happens on Github, at https://github.com/chemfiles/chemfiles/

Features

  • Read both text (XYZ, PDB, ...) and binary (NetCDF, TNG, ...) file formats;
  • Filter atoms with a rich selection language;
  • Support a varying number of atoms in trajectories;
  • Set custom unit cell or topology when reading/writing;
  • Easy to use programming interface in Python, C++, C, Fortran 95, Julia and Rust;
  • Cross-platform, usable from Linux, OS X and Windows.


Audience

Science/Research



Programming Language

C++



This is an application that can also be fetched from https://sourceforge.net/projects/chemfiles/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.


Free Servers & Workstations

Download Windows & Linux apps

  • 1
    Image Downloader
    Image Downloader
    Crawl and download images using
    Selenium Using python3 and PyQt5.
    Supported Search Engine: Google, Bing,
    Baidu. Keywords input from the keyboard
    or input from ...
    Download Image Downloader
  • 2
    Eclipse Tomcat Plugin
    Eclipse Tomcat Plugin
    The Eclipse Tomcat Plugin provides
    simple integration of a tomcat servlet
    container for the development of java
    web applications. You can join us for
    discussio...
    Download Eclipse Tomcat Plugin
  • 3
    WebTorrent Desktop
    WebTorrent Desktop
    WebTorrent Desktop is for streaming
    torrents on Mac, Windows or Linux. It
    connects to both BitTorrent and
    WebTorrent peers. Now there's no
    need to wait for...
    Download WebTorrent Desktop
  • 4
    GenX
    GenX
    GenX is a scientific program to refine
    x-ray refelcetivity, neutron
    reflectivity and surface x-ray
    diffraction data using the differential
    evolution algorithm....
    Download GenX
  • 5
    pspp4windows
    pspp4windows
    PSPP is a program for statistical
    analysis of sampled data. It is a free
    replacement for the proprietary program
    SPSS. PSPP has both text-based and
    graphical us...
    Download pspp4windows
  • 6
    Git Extensions
    Git Extensions
    Git Extensions is a standalone UI tool
    for managing Git repositories. It also
    integrates with Windows Explorer and
    Microsoft Visual Studio
    (2015/2017/2019). Th...
    Download Git Extensions
  • More »

Linux commands

Ad