One common challenge faced by molecular modelers and researchers is dealing with the compatibility of different file formats. The variety of data types, from molecular structures to images and animations, can make it difficult to find tools that seamlessly integrate everything. Fortunately, SAMSON, the integrative molecular design platform, effectively addresses this problem by supporting an extensive array of file formats for importing and exporting various types of data. This blog post explores the breadth of supported formats and how they empower scientists in their workflows.
Why File Format Support Matters
As a molecular modeler, you often engage with different software and data types for simulations, structures, images, and animations. Each tool might have its own specific file format, which can create problems when transitioning data from one tool to another. SAMSON simplifies this by enabling seamless support for a wide range of formats, enhancing both interoperability and productivity.
Supported File Categories
SAMSON organizes its compatible file formats into various categories, ensuring researchers can work with the data they need:
- Molecular Structures: Formats like PDB, CIF, SDF, and GRO are supported for reading and writing. SAMSON also supports proprietary formats like SAM and SAMX for complex data storage, allowing embedding of files such as PDFs and images within molecular documents.
- Molecular Trajectories: Essential for simulations, SAMSON supports formats like DCD, XYZ, and NC, facilitating integration with CHARMM, GROMACS, or LAMMPS workflows.
- 3D Geometries: For structural visualizations, SAMSON supports OBJ, glTF, and STL meshes. This is especially helpful for working on molecular meshes and visual representations.
- Python Scripts: In addition to handling molecular data, SAMSON includes support for Python scripts (PY) for advanced scripting and customization.
- Images and Animations: SAMSON can read and export image formats like BMP, PNG, and GIFs. Animations can also be saved as MP4 or WEBM for high-quality dynamic presentations.
Adding New File Formats
If you work with a format that is not yet supported, SAMSON offers solutions. The platform provides tools to develop your own importers and exporters, extending its compatibility further. The extensive documentation guides you through this customized extension process, empowering users to tailor SAMSON to their specific needs.
An Example of Flexibility
Consider the popular PDB (Protein Data Bank) format. SAMSON allows you not only to read and write standard PDB files but also work with aliases like ENT and VDB formats. This flexibility ensures that data from different software tools or databases can be seamlessly integrated into your workflow without requiring format conversions.
Solving Real-World Issues
SAMSON’s support for a variety of formats helps researchers eliminate redundant steps, like converting data from one format to another, or worrying about compatibility across software ecosystems. By focusing on seamless data handling, SAMSON lets you concentrate on design and exploration rather than technical bottlenecks.
Learn more about the complete list of supported formats and extensions by visiting the official SAMSON documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download it at SAMSON Connect.