<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class="">Hi James —</div><div class=""><br class=""></div><div class="">I’m not entirely sure I understand what you’re wanting to do, but my ears perked up when you mentioned Jmol and Chime so I’ll try to offer some pointers:</div><div class=""><br class=""></div><div class="">* If you want to assess which .spt files are failing when trying to read them with Jmol, then yes, Python can be used to automate the feeding of files to Jmol and can capture whether the loading is successful or not.</div><div class=""><br class=""></div><div class="">* If you want a way to parse problematic .spt files that can no longer be read in using Jmol or MDL Chime, it is possible to create an .spt parser in Python capable of reading your files though my quick searches for an existing .spt parser library in Python came up empty. If this is your goal (to read those problematic .spt files), have you considered using OpenBabel to read them and convert them to another mainstream chemical structure format (SDF, MOL, etc.), cleaned up and ready for reading by any of a variety of other tools?</div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">You may already be aware but just in case it isn’t evident, Python itself does not ship with capabilities for reading/writing chemical structure formats but there are lots of chemistry tools built on top of Python that do. You may well find it most productive to pick up one of those tools in lieu of Python itself.</div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">Hope this helps,</div><div class=""><br class=""></div><div class=""><br class=""></div><div class="">Davin</div><div class=""><br class=""></div><div class=""><br class=""></div><br class=""><div><blockquote type="cite" class=""><div class="">On Feb 18, 2015, at 2:56 PM, James Zimmerman <<a href="mailto:JKZMM@clemson.edu" class="">JKZMM@clemson.edu</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div class="WordSection1" style="page: WordSection1; font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;"><div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif; text-indent: 0.5in;" class="">I have a lot of old files that were written in Chime, then made compatible with Jmol. Now there are problems with that. Will Python give me a way to be able to show the .spt files that Chime could read? I don’t want to start learning Python unless I know there is a way.<o:p class=""></o:p></div><div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><o:p class=""> </o:p></div><div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""> Thank you very much.<o:p class=""></o:p></div><div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class=""><o:p class=""> </o:p></div><div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class="">James Zimmerman<o:p class=""></o:p></div><div style="margin: 0in 0in 0.0001pt; font-size: 11pt; font-family: Calibri, sans-serif;" class="">Emeritus Professor of Biochemistry<o:p class=""></o:p></div></div><span style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; float: none; display: inline !important;" class="">--<span class="Apple-converted-space"> </span></span><br style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><a href="https://mail.python.org/mailman/listinfo/python-list" style="color: purple; text-decoration: underline; font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">https://mail.python.org/mailman/listinfo/python-list</a></div></blockquote></div><br class=""></body></html>