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 LEGAL NOTICE Unless expressly stated otherwise, information contained in this message is confidential. If this message is not intended for you, please inform postmas...@ccdc.cam.ac.uk and delete the message. The Cambridge Crystallographic Data Centre is a company Limited by Guarantee and a Registered Charity. Registered in England No. 2155347 Registered Charity No. 800579 Registered office 12 Union Road, Cambridge CB2 1EZ. ------------------------------------------------------------------------------ What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth. Provides multi-vendor support for NetFlow, J-Flow, sFlow and other flows. Make informed decisions using capacity planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers