From ruben.ruperez.92 at gmail.com Mon Apr 11 12:21:54 2016 From: ruben.ruperez.92 at gmail.com (=?UTF-8?Q?Rub=C3=A9n_Ruperez_Illescas?=) Date: Mon, 11 Apr 2016 18:21:54 +0200 Subject: [Openchemistry-users] Fwd: Python-Extension In-Reply-To: References: Message-ID: Hello, first of all, thank you for any kind of advise. I am working in the developing of a python Extension for avogadro. I've started working in Avogadro 1.1.1 on Linux. But now, I would appreciate to know how is the python-extension field in the Avogadro2, and decide if I would have to rewrite my example scripts from PyQt4 to PyQt5. I read an older mail about this field, in the mailing list: http://public.kitware.com/pipermail/openchemistry-users/2015-April/000005.html But I am not sure about how is this tool nowadays. Thank you again for your attention. Best regards, R.R.I. -------------- next part -------------- An HTML attachment was scrubbed... URL: From psavery at buffalo.edu Wed Apr 27 15:49:59 2016 From: psavery at buffalo.edu (Patrick Avery) Date: Wed, 27 Apr 2016 15:49:59 -0400 Subject: [Openchemistry-users] GSoC Ideas Message-ID: Hi there! My name is Patrick Avery. I'm doing a google summer of code for Open Chemistry. Here is a link to my project: https://summerofcode.withgoogle.com/projects/#6428631593123840 I'm working primarily on advancing materials science aspects of Avogadro 2. I'm going to be adding a lot of features that were present in Avogadro 1 (like identifying the space group of a crystal, symmetrizing a crystal, filling a unit cell, building super cells, etc.). I also have some stretch goals I may try to reach as well (like assisting with periodic UFF code). We're currently in the community bonding period. I was wondering if any of you have any specific materials science features that you'd like to be implemented into Avogadro 2 over the summer. I have some primary goals that I will try to reach first. But I can add suggestions to a list of stretch goals that I may be able to reach before the end of the summer. Thanks, Patrick -------------- next part -------------- An HTML attachment was scrubbed... URL: From david.lonie at kitware.com Wed Apr 27 15:55:38 2016 From: david.lonie at kitware.com (David Lonie) Date: Wed, 27 Apr 2016 15:55:38 -0400 Subject: [Openchemistry-users] GSoC Ideas In-Reply-To: References: Message-ID: Congrats Patrick! Adding the original set of crystallography tools and display formats from Avogadro 1 into Avogadro 2 would be my only request, and it looks like you've got that covered from your summary. As you know, I wrote most of the crystallography code in both versions, so feel free to ping me if you have any questions. I'm not actively using or developing for these projects at the moment, but I'll be happy to help however I can. Best, Dave On Wed, Apr 27, 2016 at 3:49 PM, Patrick Avery wrote: > Hi there! > > My name is Patrick Avery. I'm doing a google summer of code for Open > Chemistry. Here is a link to my project: > https://summerofcode.withgoogle.com/projects/#6428631593123840 > > I'm working primarily on advancing materials science aspects of Avogadro > 2. I'm going to be adding a lot of features that were present in Avogadro 1 > (like identifying the space group of a crystal, symmetrizing a crystal, > filling a unit cell, building super cells, etc.). I also have some stretch > goals I may try to reach as well (like assisting with periodic UFF code). > > We're currently in the community bonding period. I was wondering if any of > you have any specific materials science features that you'd like to be > implemented into Avogadro 2 over the summer. I have some primary goals that > I will try to reach first. But I can add suggestions to a list of stretch > goals that I may be able to reach before the end of the summer. > > Thanks, > Patrick > > _______________________________________________ > Openchemistry-users mailing list > Openchemistry-users at public.kitware.com > http://public.kitware.com/mailman/listinfo/openchemistry-users > > -------------- next part -------------- An HTML attachment was scrubbed... URL: