pdb

package
v0.0.0-...-160f2ba Latest Latest
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Published: Feb 28, 2021 License: GPL-3.0 Imports: 12 Imported by: 0

Documentation

Overview

Package pdb covers reading PDB coordinates. Go to a pdb website and download coordinates. pdb europe files are at http://www.ebi.ac.uk/pdbe/entry-files/download/5pti.cif or maybe http://www.ebi.ac.uk/pdbe/entry-files/download/5pti_updated.cif The main point is to visit the web page and return a reader that can be used like the file readers. The interface should be changed so we can specify the server we like.

Index

Constants

This section is empty.

Variables

This section is empty.

Functions

func NChain

func NChain(chns []cmmn.Chain) int

NChain says how many chains we have in the structure

func NatomsTot

func NatomsTot(chns []cmmn.Chain) (int, int)

NatomsTot returns the total number of valid atoms and the number of invalid atoms in a set of chains. We cannot write it as a method, since it would have to be in the cmmn sub package.

func ReadCoord

func ReadCoord(fname string, srcType byte, outinfo string) ([]cmmn.Chain, error)

ReadCoord takes a filename and attempts to read it as an mmcif file. Errors are returned the obvious way. During debugging, there can be a lot of output. This will be written to a file called outinfo. if outinfo is "", it will be trashed. If outinfo is "stdout", we write to standard output. Development ugliness - no longer handles http files.

Types

This section is empty.

Directories

Path Synopsis
calpha will read pdb files and get some statistics about alpha carbons.
calpha will read pdb files and get some statistics about alpha carbons.
Package pdb/cmmn has common definitions for coordinates and pdb files
Package pdb/cmmn has common definitions for coordinates and pdb files
Package mmcif is the main package.
Package mmcif is the main package.

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