The LAMP Application

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lamp_mac/

write_pdb.pro


Routines

result = PCell_To_Mat(a0, b0, c0, alpha0, beta0, gamma0)

Write_PDB, PDBFile, Num_At, W=W

Routine details

top PCell_To_Mat

result = PCell_To_Mat(a0, b0, c0, alpha0, beta0, gamma0)

******* ************ ** ** This function performs the conversion from the six cell parameters a, b, c, alpha, beta and gamma ** to the direct cell matrix assuming that: ** - a //x ** - b in (x,y) plane ** a, b, c in Angstrom ** Alpha, beta and gamma in degree ** The inverted cell matrix allows to convert from direct coordinates to fractional coordinates.

Parameters

a0
b0
c0
alpha0
beta0
gamma0

top Write_PDB

Write_PDB, PDBFile, Num_At, W=W

** ********* ** User callable ** This procedure writes a PDB file out of a workspace. To do so the workspace must be ** of liv_objet type. ** Eric PELLEGRINI (Mar 2010)

Parameters

PDBFile
Num_At

Keywords

W

File attributes

Modification date: Tue Oct 1 14:36:01 2013
Lines: 231