Mon, 31 Aug 2020 11:46:15 +0000 by Fabian Schuhmann
A new tool named "Pep McConst" has been added to VIKING. The new task is designed for constructing polypeptide chains, allowing appending existing protein structures or just constructing a chain by itself.
In the nature of VIKING, Pep McConst is designed to achieve results without the need to indulge in extensive coding. One just needs to supply a standard amino acid sequence and, possibly, a structure file in a commonly used format (PDB/XYZ), and Pep McConst will start working. It is also possible to specify the secondary structure, a chain and the number of runs.
PepMcConst also allows choosing between the Monte-Carlo or the Las-Vegas algorithms, depending on the computational limitations.