C2P API OPEN SOURCE

C2P open source API:

The C2P Advanced Programming Interface (API) provides a large set of chemo-proteomic methods in C# language under a L-GPL license to develop very quickly new expert chemo-proteomic software applications.

Combine with the Microsoft Visual Studio IDE (integrated development environment), Computational Chemists are accessing to to a rich and convenient environment to develop small to large applications for MS-Windows or Linux platforms.

Main Benefits:

  • Rich toolset of 1D/2D/3D molecular methods;
  • Fast methods, some are already parallelized;
  • Robustness as FcLigand and FcBioisostere expert software are built upon the C2P-API;
  • Comfortable software development environment when used in Microsoft Visual Studio IDE (code completion, debugger, GUI designer, rich C# methods, …);
  • Allow users to focus on new ideas rather than struggling with technical low level software/mathematical issues;
  • Open sources benefit (flexibility, security, auditability, cost, …).

Main Features:

All C2P-API methods are fully documented and searchable thanks to Doxygen documentation generator. All C# classes are organized in different namespaces to provide consistent methods for a define cheminformatic task. MS-Visual Studio autocompletion includes all C2P-API class/methods/attributes.

C2P-API includes among others the following chemo-proteomic features :

  • 1D/2D/3D descriptors
  • 2D fingerprints
  • Similarity search
  • Substructure search
  • Clustering
  • Ligand fragmentation
  • Fragment hybridisation
  • 1D/2D/3D interactive spreadsheet
  • File parsers
  • …

Existing Applications based on C2P-API:

  • FcLigand software to manage 2D/3D ligands/Fragments
  • FcBioisostere software for bioisosterism replacement upon the PDB
  • FcRebuilder software to predict/rebuild ligand bound conformation
  • FcCutlass software to filter/profile large chemical libraries
  • The C# code to detect clusters of protein subpockets defined around a same 2D-fragment of ligand (see download section)

Examples:

  • LigsSplitter in 50 lines of C# code: detect 2D shared fragments and their corresponding 3D conformations from an input set of superposed ligands
  • LigsHybridiser in 50 lines of C# code: hybridise ligands in new molecules belonging to a chemical library

License:

C2P-API is provided under a LGPL license

Free Download:

Please contact support@felixc.eu to get a free access to the C2P-API

 
 

 

 

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