Re: [Jmol-users] Potential bug in reading xyz files

2016-09-26 Thread Peter Brommer
Hi Bob (and the others), thanks for your answer - this helps enormously. I have a bunch of legacy files created by a legacy utility - I modified the code to no longer put stuff after the integer. As a side note: the xyz::broken.xyz trick also works on the command line (which is how I start

Re: [Jmol-users] Potential bug in reading xyz files

2016-09-26 Thread Robert Hanson
No changes ever. On Mon, Sep 26, 2016 at 9:08 AM, Angel Herráez wrote: > > OK, I will ammend the wiki to clarify the issue. > > But, important: Peter, has this behaviour changed across Jmol versions? > It is one thing that Jmol identifies or not the format, as Bob has >

Re: [Jmol-users] Potential bug in reading xyz files

2016-09-26 Thread Angel Herráez
OK, I will ammend the wiki to clarify the issue. But, important: Peter, has this behaviour changed across Jmol versions? It is one thing that Jmol identifies or not the format, as Bob has explained; it is another if there has been a change in behaviour. Thanks

Re: [Jmol-users] Potential bug in reading xyz files

2016-09-26 Thread Kubasik, Matthew A.
Peter, On my editor, your “broken” file has an additional text (the letter “a’) on the first line. Could that be the problem? Matt Kubasik On Sep 26, 2016, at 6:46 AM, Peter Brommer > wrote: Hi, This concerns Jmol Version:

Re: [Jmol-users] Potential bug in reading xyz files

2016-09-26 Thread Robert Hanson
The *xyz reader *ignores everything else on the first line after the integer. The *reader format resolver *is what requires just an integer (the number of atoms) and white space on the first line in order to send the data to the xyz reader, because there are several other formats that start with