Rendered pictures of the H-bonded chains in TH1.
Starting with the lattice chain built using ORTEX as described in the TH1
example
Exit ORTEX and in Oscail click on Use LIST and Use LIST.INS
The choices here Use LIST.INS and Use LISTU.INS differ in that the former
writes SYMMOPS to the INS file while the latter writes anisotropic thermal
parameters if they are available. After this operation the jobname is switched
to TEST. It is a good idea to use the
and
buttons in sequence to switch the jobname to ptest and select Edit.INS
put the command (4 spaces)PMACT 3 4 2.5 3.5 into the INS
file as shown.
Cl2 and O5
are atoms 3 and 4 in the INS file.
TITL th1
CELL 0.71069 13.4100 9.4800 19.0000 90.00 98.45 90.00
LATT -1
PMACT 3 4 2.5 3.5
PMALT
FVAR 1.0
Ni1 1 0.77142 0.45405 0.66398 11.0 0.05 55501.
Sn1 1 0.79471 0.22771 0.53228 11.0 0.05 55501.
Cl2 1 0.94986 0.06898 0.68885 11.0 0.05 55501.
O5 1 0.91771 0.39012 0.70022 11.0 0.05 55501.
Save the INS close the editor and run ORTEX to get the view you want
There is no need to put in H-bonds here. Use the render button
and set the Covalent Tol. to 0.3 and uncheck Use SYMM and OK
If Use SYMM is left checked then dashed bonds are drawn between asymmetric units only
