Handling CSSR Data

BiopLib - Handling CSSR Data

File IO

• blReadCSSR() - Read a CSSR file into a CSSR linked list
• blReadCSSRasPDB() - Read a CSSR file into a PDB linked list
• blWriteCSSR() - Write a CSSR file from a CSSR linked list.

Transformations

• blNormaliseCSSR() - Convert a CSSR linked list in fractional coordinates to orthonormal
• blNormalisePDB() - Convert a PDB linked list in fractional cooridinates to orthonormal
• blOrtho() - Calculate a matrix which will convert between fractional and orthonormal coordinates given unit cell dimensions and angles.