pdbrn is a command line tool for renumbering protein sequence in PDB/PDBQT molecular models.
- allow multiple rules for renumbering residues (amino acids)
- ability to delete unwanted partial protein sequence
- support PDB and PDBQT formats
All systems with compilers in conformance with the C++17 standard, e.g.
- Linux x86_64 and g++ 8.3.1 or higher
- Mac OS X x86_64 and clang 7 or higher
- Windows x86_64 and msvc 19.14 or higher
This project uses cross-platform build system CMake to build from source. It detects your environment and decides the most appropriate compiler toolset. The minimum version of CMake required is 3.15. To build, simply run
cmake -B build
cmake --build build --config Release
The generated objects and executable will be placed in the build folder.
Optionally, on Linux or macOS one may install the output binary to the system (usually /usr/local/bin) by running
sudo cmake --install build
On Windows, the script should be run without sudo but under Administrator. The executable will be copied to an individual directory under Program Files.
Visual Studio 2019 solution and project files are provided. To compile, simply run
msbuild /t:Build /p:Configuration=Release
Or one may open pdbrn.sln in Visual Studio 2019 and do a full rebuild.
The generated objects will be placed in the obj folder, and the generated executable will be placed in the bin folder.
First add pdbrn to the PATH environment variable.
To display a full list of available options, simply run the program with the --help argument
pdbrn --help
See the Features section above for usages in different input ways.