.MOL2 File Extension
SYBYL MOL2 File
| Developer | N/A |
| Popularity | |
| Category | Data Files |
| Format | .MOL2 |
| Cross Platform | Update Soon |
What is an MOL2 file?
The .MOL2 file extension is associated with SYBYL (Tripos Associates Inc.), a molecular modeling and simulation software suite widely used in computational chemistry. These files primarily store molecular structures and associated data, such as atom types, charges, and connectivity information, making them crucial for molecular modeling and drug design studies.
More Information.
The .MOL2 file format was first introduced in the late 1980s alongside the release of SYBYL software. Its initial purpose was to enable researchers to easily exchange molecular structure data and to provide a flexible format for storing complex molecular information for use in computational chemistry studies, such as drug design and molecular dynamics simulations.
Origin Of This File.
The .MOL2 file format was developed by Tripos International as part of their SYBYL software suite. It was designed to facilitate the exchange of molecular structure data between different computational chemistry programs and to provide a standardized format for storing molecular information.
File Structure Technical Specification.
The .MOL2 file format consists of several sections, including header information, atom records, bond records, and substructure records. Each section contains specific data related to the molecular structure, such as atom coordinates, atom types, bond connectivity, charges, and atom properties.
How to Convert the File?
Windows:
- Open a molecular modeling software program such as PyMOL, Avogadro, or Open Babel on your Windows computer.
- Import the .MOL2 file into the software by selecting the appropriate option from the File menu.
- Once the file is loaded, choose the export option from the File menu and select the desired output format (e.g., .pdb, .sdf, .xyz) for conversion.
- Save the converted file to your desired location on your Windows computer.
Linux:
- Launch a molecular modeling software program like PyMOL, Avogadro, or Open Babel in your Linux environment.
- Import the .MOL2 file into the software by navigating to the File menu and selecting the import option.
- Once the file is loaded, access the export functionality from the File menu and choose the desired output format (e.g., .pdb, .sdf, .xyz) for conversion.
- Save the converted file to your preferred location within your Linux file system.
macOS:
- Open a molecular modeling software application such as PyMOL, Avogadro, or MOE (Molecular Operating Environment) on your Mac.
- Import the .MOL2 file into the software by selecting the appropriate import option from the File menu.
- After loading the file, access the export feature from the File menu and choose the desired output format (e.g., .pdb, .sdf, .xyz) for conversion.
- Save the converted file to your desired location within your macOS file system.
Android:
- Since there are no dedicated molecular modeling applications available for Android that directly support .MOL2 file conversion, you may need to use an online conversion tool or a cloud-based service.
- Upload the .MOL2 file to the online conversion tool or cloud service.
- Select the desired output format for conversion (e.g., .pdb, .sdf, .xyz) within the conversion tool.
- Once the conversion is complete, download the converted file to your Android device.
iOS:
- Similar to Android, there are no dedicated molecular modeling applications available for iOS that directly support .MOL2 file conversion.
- Utilize an online conversion tool or a cloud-based service accessible through a web browser on your iOS device.
- Upload the .MOL2 file to the online conversion tool or cloud service.
- Choose the desired output format for conversion (e.g., .pdb, .sdf, .xyz) within the conversion tool interface.
- Once the conversion process finishes, download the converted file to your iOS device.
Other Operating Systems:
- For other operating systems such as BSD or Unix variants, follow a similar approach as outlined for Windows, Linux, macOS, Android, or iOS.
- Use molecular modeling software compatible with the respective operating system to import the .MOL2 file and perform the conversion to the desired output format.
- Alternatively, explore online conversion tools or cloud-based services accessible through web browsers on these operating systems for file conversion purposes.
Advantages And Disadvantages.
Advantages:
- Standardized format: .MOL2 files provide a standardized and widely accepted format for storing molecular structure data.
- Flexibility: The format allows for the inclusion of various types of molecular information, making it suitable for a wide range of computational chemistry applications.
- Interoperability: .MOL2 files can be read and written by many molecular modeling software programs, enhancing interoperability and facilitating collaboration among researchers.
Disadvantages:
- Limited compatibility: While .MOL2 files are widely supported in the computational chemistry community, they may not be compatible with all software programs used in the field.
- Complexity: The structure of .MOL2 files can be complex, especially for large molecules or systems with multiple components, which may require specialized software tools for manipulation and analysis.
How to Open MOL2?
Open In Windows
On Windows, .MOL2 files can be opened using molecular modeling software such as PyMOL, Avogadro, or MOE (Molecular Operating Environment).
Open In Linux
In Linux, .MOL2 files can be opened using molecular modeling software like PyMOL, Avogadro, or Open Babel, which are available through package managers or as standalone installations.
Open In MAC
On macOS, .MOL2 files can be opened using molecular modeling software such as PyMOL, Avogadro, or MOE (Molecular Operating Environment), which are compatible with the macOS operating system.
Open In Android
There are currently no dedicated molecular modeling software applications available for Android that support the direct opening of .MOL2 files. However, online conversion tools or cloud-based services may offer solutions for viewing or converting .MOL2 files on Android devices.
Open In IOS
Similarly, there are no dedicated molecular modeling software applications available for iOS that support the direct opening of .MOL2 files. However, online conversion tools or cloud-based services may provide options for viewing or converting .MOL2 files on iOS devices.
Open in Others
Other operating systems, such as BSD or Unix variants, can typically open .MOL2 files using molecular modeling software like PyMOL, Avogadro, or Open Babel, which are compatible with these platforms and offer support for the .MOL2 file format.
Additionally, online conversion tools or cloud-based services may provide options for viewing or converting .MOL2 files on other operating systems.
