rmat2pdb

• Introduction
  
• How it works
  
• Invocation
  
• Input/Output files
  
• Example
  

Introduction

How it works

1. The program reads name.rmat
2. You set
   • thmax
     The maximum resolution
   • lambda
     The wavelength
   • scale
     The scale factor used by img2r to create the density map.
   These parameters can be set by loading the mapname.rmc file, created by img2r, using the syntax @mapname.
3. The reciprocal orientation matrix rmat is multiplied by scale
4. Creates name-axes.pdb
   Generate hkl vectors along a^*, b^* and c^* upto the resolution set by thmax. Calculate the c-vector in the laboratory system:
   c = rmat*hkl
   Write ATOM records for the c-vectors.
5. Creates name-hkl.pdb
   Generate hkl vectors from -hmax to hmax, -kmax to kmax. -lmax to lmax. Calculate the c-vector in the laboratory system:
   c = rmat*hkl
   Write ATOM records for the c-vectors.
6. Creates name.scm
   This script can be used to load both pdb files into coot.

Invocation

Input/Output files

Input Files

Output files

Example