Parse PDB


Introduction

Parse PDB formatted data (structures). Sheets are not read, while strands are. Each strand is written as separate sheet. This wrong, but better than nothing. If the file contains "REMARK 4" that states conformance to version 2 or higher, the columns 76-77 are assumed to contain the chemical type of the atom. The PQR-file is a PDB-file, but the occupancy and B-factor fields are replaced with atom radius and charge.


Configuration file entries

Section Key Valuetype
Description
Contents