Hi Angel,
Thank you for the examples.
First I tried running your code in the console
==========
load data "model example"|@<TRIPOS>MOLECULE|Molecule Name|5
4|SMALL|NO_CHARGES|||@<TRIPOS>ATOM|1 C1 -0.0000 0.0000
-0.6300 C 1 fluromethane 0.123871|2 H2 0.0000 1.0330 -0.9980 H 1
fluromethane 0.035745|3 H3 -0.8946 -0.5165 -0.9980 H 1
fluromethane 0.035745|4 H4 0.8946 -0.5165 -0.9980 H 1
fluromethane 0.035745|5 F5 -0.0000 -0.0000 0.7527 F 1
fluromethane -0.231384|@<TRIPOS>BOND|1 1 2 1|2 1 3 1|3 1 4 1|4 1 5
1|end "model example";
==========
... but got the usual error message:
==========
File Error:No atoms found
for file null
type Mol2
script ERROR: No atoms found
for file null
type Mol2
==========
Then I tried it with replacing the vertical bars with newline chars and the
structure was loaded successfully.
Why is loading the data with vertical bars not working for me?
When I ran the reload command (load "";), however, I got this error:
==========
File Error:unrecognized file format for file
string
model example
script ERROR: unrecognized file format for file
string
model example
----
load <<<<""
==========
The same happens with this simple data taken from the documentation:
==========
load data "model example"
2
testing
C 1 1 1
O 2 2 2
end "model example";
==========
Loading is fine but reloading fails with the "unrecognized file format"
message.
I get the same behaviour for all of the above whether I run the scripts in
JSmol in a browser or in Jmol directly.
All of the above works absolutely fine in version 14.2.7.
Any idea what might cause this?
Regards,
Abel
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