From b372c5d77caa1bc9bd4c8f69de76d064f8d93ccd Mon Sep 17 00:00:00 2001 From: Thomas White Date: Thu, 25 Mar 2010 11:53:48 +0100 Subject: Improved PDB parser --- src/sfac.h | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) (limited to 'src/sfac.h') diff --git a/src/sfac.h b/src/sfac.h index 000b859f..fea97022 100644 --- a/src/sfac.h +++ b/src/sfac.h @@ -21,16 +21,19 @@ #include "cell.h" +#define MAX_ATOMS (128*1024) + + struct mol_species { char species[4]; /* Species name */ int n_atoms; /* Number of atoms of this species */ - double x[32*1024]; - double y[32*1024]; - double z[32*1024]; - double occ[32*1024]; - double B[32*1024]; + double x[MAX_ATOMS]; + double y[MAX_ATOMS]; + double z[MAX_ATOMS]; + double occ[MAX_ATOMS]; + double B[MAX_ATOMS]; }; -- cgit v1.2.3