More software..
programs made for the use of research students
(brief details given as comments in the source
files - fortran or gwbasic)
Crystallographic..
- differential r.m.s. displacements of atoms connected
by a bond - uses output generated by
ortep. (Ref : S.
Menon and M. V. Rajasekharan Inorg. Chem. 36, 4983-4987(1997),
D. Ramalakshmi and
M. V. Rajasekharan
Acta Cryst. B55, 186-191(1999)). delu.for
- distances and angles with e.s.d.'s - upto 20 symm.
eqvts. dist.for
- reads .LST file (shelxl) and prepares input for
dist.for xyz.for
- for the 'old fashioned' ORTEP user : make input
in ortep format ortin.for
: view .HGL file (from ortep) ortcb.bas
- reformats hkl data
ftoi.for
- scans hkl file for absences and Laue symmetry
hkls.for
- statistical absorption correction (Walker and
Stuart) absorb.for
others..
- elemental percentage composition - input, atom
or group labels elem.bas
- magnetisation versus field for S=5/2
mvsh.for
- bonding parameters from e.p.r. and optical spectra
of d9 complexes (Ref : G. Swarnabala and
M. V. Rajasekharan
Inorg. Chem. 28, 662-666(1989)). d9esr.for
mvrsc@uohyd.ac.in
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