Just to note that importing from Bitbucket is handled by GitHub. Also that
GitHub pages can serve HTML by turning off Jekyll (a process which I'd
recommend).
- Noel
On Fri, 25 Jun 2021, 16:19 Peter Murray-Rust, wrote:
> Oliver and colleagues did a really great job in porting CML code.
>
> It is
Wishing you all the best, Craig.
It was great to finally meet you in person in San Diego. You've been a very
positive force in open source and commercial cheminformatics over many
years. For the new here, Craig was a developer at Daylight, co-founded
eMolecules (chmoogle as was), made major contri
Your understanding is correct, though this is not widely appreciated. There
are many more papers that discuss improving the fingerprint filtering, but
whether they filter out 30% or 20% is kind of irrelevant, given the orders
of magnitude differences in speed for algorithms for subgraph matching.
GitHub has an import button that will import directly from a mercurial
repository on BitBucket. I've already done this for some of my projects. It
maintains history.
- Noel
On Tue, 17 Dec 2019 at 08:05, Mark Williamson wrote:
>
>
> On 17/12/2019 02:06, Oliver Stueker wrote:
> > Dear All (especi
Sounds good to me. I'll add your account when at my computer.
On Tue, 17 Dec 2019, 06:48 Rzepa, Henry S, wrote:
> I am happy for you to go ahead!
>
> Thanks.
>
> Henry Rzepa
>
> On 17 Dec 2019, at 02:04, Oliver Stueker wrote:
>
>
>
> This email from oliver.stue...@mun.ca originates from outsi
Apologies - I see you have the correct reference and my memory betrays me.
On Thu, 5 Sep 2019, 06:55 Noel O'Boyle, wrote:
> Regarding Tanimoto, credit should be given to the original source,
> whatever language it's written in. From memory, la distribution des flores
> dan
Regarding Tanimoto, credit should be given to the original source, whatever
language it's written in. From memory, la distribution des flores dans la
zone alpine, I believe.
On Wed, 4 Sep 2019, 20:21 Andrew Dalke, wrote:
> Here's another example of how it's important to know the clear goal of
>
How about meet in lobby of Omni at 5.30? Craig James should also be joining
us.
On Thu, 22 Aug 2019, 07:49 Noel O'Boyle, wrote:
> Absolutely.
>
> On Wed, 21 Aug 2019 at 16:39, David Koes wrote:
>
>> I'm up for it as long as I can bring group members with me.
>
Absolutely.
On Wed, 21 Aug 2019 at 16:39, David Koes wrote:
> I'm up for it as long as I can bring group members with me.
>
> David Koes
>
> Assistant Professor
> Computational & Systems Biology
> University of Pittsburgh
>
> On 8/21/19 7:42 AM, Noel O&
Hi all,
Any interested in joining me + Rich Apodaca for dinner on Monday at 6? I
need to be back for Sci-Mix at 8. Suggestions for venues v. welcome.
Regards,
- Noel
___
Blueobelisk-discuss mailing list
Blueobelisk-discuss@lists.sourceforge.net
https://
Me too.
On 17 January 2018 at 09:34, Christoph Steinbeck <
christoph.steinb...@gmail.com> wrote:
> +1 (going and supporting the BO meeting)
>
> > On 17 Jan 02018, at 10:32, Egon Willighagen
> wrote:
> >
> >
> > Hi all,
> >
> > in May there will be 11th International Conference on Chemical
> Stru
Geoff, Tim and I appear to be owners.
On 11 Sep 2017 8:46 p.m., "Christoph Steinbeck" <
christoph.steinb...@uni-jena.de> wrote:
> The subject says it all.
> Please contact Egon or myself if you own this repository (and
> blueoblisk.github.io).
>
> Kind regards,
>
> Chris
>
> —
> Prof. Dr. Christo
And the winner is...? Christoph we need you to give the casting vote as
there are three equal options.
On 1 August 2017 at 13:40, Chalk, Stuart wrote:
> Quick reminder that the ACS CINF Division Reception and Poster Session is
> Sunday 6.30 - 8.30 pm.
>
> Stuart
>
>
> > On Aug 1, 2017, at 8:02 A
Ah OK - got it. I need to set the time zone to EST.
On 1 August 2017 at 13:21, Noel O'Boyle wrote:
> Doodle is being clever and changing the times from Berlin time to
> London time for me. So everything is an hour off. Is there any way to
> turn this off?
>
> On 1 August 2017
Doodle is being clever and changing the times from Berlin time to
London time for me. So everything is an hour off. Is there any way to
turn this off?
On 1 August 2017 at 13:02, Christoph Steinbeck
wrote:
> Dear all,
>
> there seems to be some interest in a BO dinner, so here is the poll.
> Pleas
Count me in.
On 1 August 2017 at 11:16, Rajarshi Guha wrote:
> I will be in DC. It'd be nice to reconstitute the BO dinner. Sunday (after
> 8pm or so), Monday, Tuesday work for me
>
> On Tue, Aug 1, 2017 at 4:51 AM, Christoph Steinbeck
> wrote:
>>
>> Dear all,
>>
>> as the ACS meeting in Washing
On 11 April 2017 at 08:37, John Mayfield wrote:
>
> On 11 April 2017 at 04:37, Robert Hanson wrote:
>>>
>>> 2) What did you get for the other test case, that one checks you have the
>>> ordering ranking for atomic masses.
CC[C@@](CO)([H])[14CH2]C
>>
>>
>> R.
>
>
> There you go, that sho
taking a look at how other have implemented it.
>
> In the mean time, is it OK for me to continue this discussion without libRS?
>
> Q: What do you say for the stereochemistry of [13CH@@]12C3C1.C2=CC3 ?
>
>
>
>
> On Sun, Apr 9, 2017 at 1:53 PM, Noel O'Boyle
We need libRS. Everyone reimplementing these rules is some type of madness.
On 9 Apr 2017 7:05 p.m., "Robert Hanson" wrote:
> OK, I don't get the logic of this:
>
>
> Rule 1 (a) Higher atomic number precedes lower;
> (b) A duplicated atom, with its predecessor node having the same label
> closer
I'm happy to take credit for all chemistry emscripten projects from
here on in, but Rich is to blame for this one.
On 9 March 2016 at 02:33, Robert Hanson wrote:
> inchi.js is great fun. It is now part of JSmol. See the demo at:
>
> http://chemapps.stolaf.edu/jmol/jsmol/inchi.htm
>
> and http://c
Just spoke to Marcus - other plans. I'm over near the CINF rooms if
you want to meet up.
On 17 August 2015 at 18:07, Rajarshi Guha wrote:
> Yes, I'm hungry
>
> On Mon, Aug 17, 2015 at 5:44 PM, Noel O'Boyle wrote:
>>
>> Anyone up for dinner before Sci-Mix..
Anyone up for dinner before Sci-Mix?
On 17 August 2015 at 15:13, Marcus D. Hanwell wrote:
> Will there be? Too much travel, but I would love to join if there is one.
>
> On May 27, 2015 5:29 PM, "Rajarshi Guha" wrote:
>>
>> There could be :)
>>
>> On Wed, May 27, 2015 at 5:26 PM, Andrew Lang
*applause*
On 14 April 2015 at 16:47, Christoph Steinbeck
wrote:
> Dear friends,
>
> with great pleasure I announce that we have liberated the foundational
> BlueObelisk article published in 2006:
> J. Chem. Inf. Model., 2006, 46 (3), pp 991–998
> DOI: 10.1021/ci050400b
>
> The article is now pu
Nice, but note the casual redefinition of open source.
- Noel
On 22 July 2014 14:40, Egon Willighagen wrote:
> Hi all,
>
> I had not seen anything about the below contest... but looks interesting!
>
> Egon
>
> -- Forwarded message --
> From: Dietrich Rordorf / MDPI
> Date: Tue
The whole thing. Whatever they were pasting the original file into.
- Noel
On 10 July 2014 11:12, Peter Murray-Rust wrote:
>
>
>
> On Thu, Jul 10, 2014 at 11:02 AM, Noel O'Boyle
> wrote:
>
>> Ask the third party to send you their latex file,
>>
>
> Y
Ask the third party to send you their latex file, and just copy and paste
the paragraphs in. 15 minutes work max.
- Noel
On 10 July 2014 10:42, Daniel Leidert wrote:
> Peter Murray-Rust wrote:
>
> > Well nobody seemed interested in helping so I have to do it myself :-(
> > Please help if you c
Yes - you are very welcome. Keep an eye on the list for the details.
- Noel
On 2 April 2013 14:16, Jess Barilone wrote:
> Hi Everyone,
> I am new to the blue obelisk list serv, I was wondering if I could join you
> all for dinner/drinks in New Orleans. Where and when is everyone meeting?
>
> Ch
Actually, Monday is looking less attractive now for me too. How
about...any day except Monday? :-)
Sunday after CINF reception?
- Noel
On 3 April 2013 02:37, Egon Willighagen wrote:
> On Tue, Apr 2, 2013 at 1:41 PM, Rajarshi Guha wrote:
>> Any suggestions on where and when to meet? My vote is
Is that Monday? Either way. Sounds good.
On 2 April 2013 12:41, Rajarshi Guha wrote:
> Any suggestions on where and when to meet? My vote is
>
> 7:45pm, at the Convention Center
>
> As for places to sit, chat, eat and drink, I'm not a local, so not
> very familiar. Some interesting ones, all a fe
Me too.
On 6 March 2013 15:55, Rajarshi Guha wrote:
> I'll be there
>
>
> On Wed, Mar 6, 2013 at 10:52 AM, Egon Willighagen
> wrote:
>>
>> Hi all,
>>
>> who else is going to the ACS meeting in New Orleans in April and like
>> to join a Blue Obelisk dinner/drink?
>>
>> Egon
>>
>>
>> --
>> Dr E.L.
Excellent. Count me in in spirit. Unfortunately, actually getting
there will involve working around other things which I don't know the
details of right now. Can you email me a phone number off-list and I
can text closer to the time?
- Noel
On 18 September 2012 11:15, Egon Willighagen wrote:
> H
On 31 August 2012 15:27, Andrew Dalke wrote:
> On Aug 30, 2012, at 4:38 PM, Peter Murray-Rust wrote:
>> How do we decide if something is ODOSOS? the issue hasn't come up - in that
>> we haven't rejected anything or anyone. Anyone can come to a BO dinner, post
>> on this list. That's the extent o
On 31/08/2012, Peter Murray-Rust wrote:
> On Fri, Aug 31, 2012 at 4:56 AM, Robert Hanson wrote:
>
>> Java 1.6.35 was released today and closes this vulnerability.
>>
>>
> What does this mean in practice. Do users have to update? automatically or
> deliberately?
>
> P.
Don't be worrying about it.
As a reminder, wiki editing is open to anyone with a SourceForge
account. Just log in to your SF account and try to edit the wiki. If
it doesn't work, email this list to be whitelisted by an admin.
- Noel
--
Live Security
IANAL but I grew up watching Matlock. I would just ask the respective
sources whether they are happy for you to license your dataset under
CC0 (rather than puzzle through the legal ramifications).
- Noel
On 27 August 2012 11:14, Andrew Dalke wrote:
> I recently published the "Structure Query Col
On 14 August 2012 08:02, Peter Murray-Rust wrote:
>
>
> On Mon, Aug 13, 2012 at 9:25 PM, Noel O'Boyle wrote:
>>
>> Hey there everyone,
>>
>> FYI, great news. All of the SF mediawikis will need to be migrated
>> back to local hosting on SF's web s
Hey there everyone,
FYI, great news. All of the SF mediawikis will need to be migrated
back to local hosting on SF's web space.
See http://sourceforge.net/blog/hosted-apps-retirement/ and
https://sourceforge.net/p/forge/community-docs/Hosted%20Apps%20Retirement/
The timeframe was originally Sept
You could use the Markus Sitzmann's Chemical Identifier Resolver,
which uses Cactvs on the backend. It provides InChI lookup and image
generation via a simple REST api.
e.g.
http://cactus.nci.nih.gov/chemical/structure/InChI%3D1S/C2H3ClO/c1-2%283%294/h1H3/image
returns a GIF for InChI=1S/C2H3ClO
On 24 April 2012 14:56, Peter Murray-Rust wrote:
>
>
> On Mon, Apr 23, 2012 at 7:10 PM, Noel O'Boyle wrote:
>
>> Hello all,
>>
>> I'm looking for a couple of people interested in trying out the open
>> source web conferencing system BigBlueBu
Hello all,
I'm looking for a couple of people interested in trying out the open source
web conferencing system BigBlueButton (designed for distance learning).
This software, started in 2009, appears to work very well and combines
voice, video, slides, chat and desktop sharing. Given that the comme
Hi Andy,
If a web service would be acceptable, you should check out http://ochem.eu/.
- Noel
On 2 December 2011 15:15, Andrew Lang wrote:
>
> There are plenty of ways I now know to create CDK descriptors and build
> models but I'm looking for the best way to distribute them as a desktop
> appli
On 22 August 2011 13:21, Daniel Zaharevitz wrote:
>
> On Aug 22, 2011, at 6:28 AM, Noel O'Boyle wrote:
>
>> On 18 August 2011 12:24, Daniel Zaharevitz wrote:
>>>
>>> On Aug 18, 2011, at 4:32 AM, Noel O'Boyle wrote:
>>>
>>>> Hi all
On 18 August 2011 12:24, Daniel Zaharevitz wrote:
>
> On Aug 18, 2011, at 4:32 AM, Noel O'Boyle wrote:
>
>> Hi all,
>>
>> I'll be attending the database meeting organising by the NCI on Aug
>> 25-26, and arriving on the afternoon of the 24th. An
Hi all,
I'll be attending the database meeting organising by the NCI on Aug
25-26, and arriving on the afternoon of the 24th. Anyone interested in
meeting up for dinner?
(Unfortunately, unable to make the ACS)
- Noel
--
Done. Anyone else while I'm at it...?
On 15 August 2011 17:02, Rajarshi Guha wrote:
> Looks like an admin has to give me edit perms before I can do anything.
>
> Can an admin give me (sf user name is rajarshi) edit perms?
>
> On Mon, Aug 15, 2011 at 12:00 PM, Noel O'Bo
Can't make it, but if you try to make an edit on the wiki, then one of
the admins can give you access
On 15 August 2011 16:57, Rajarshi Guha wrote:
> Hi, with the Fall ACS coming up in two weeks, are there any BO'ers (or
> BO'ers to be) who'd like to meet up for dinner?
>
> If so, could someb
I just want to add that the list of authors is NOT a list of all of
the authors of the software discussed. It is very much a subset of
that; they are people that we asked to contribute sections and who
were involved with the Blue Obelisk. If we didn't contact you and you
feel we should have (or we
On 5 June 2011 14:38, Peter Murray-Rust wrote:
>
>
> On Sun, Jun 5, 2011 at 2:15 PM, Noel O'Boyle wrote:
>>
>> >
>> > Look forward to hearing Noel's views
>>
>> This was not initiated by me, but I've signed up to support it:
>>
On 5 June 2011 13:56, Peter Murray-Rust wrote:
>
>
> On Sun, Jun 5, 2011 at 12:41 PM, Rajarshi Guha
> wrote:
>>
>> On Sun, Jun 5, 2011 at 6:24 AM, Peter Murray-Rust wrote:
>>
>> > Proposal
>> > ===
>> > We create a Shapado for computational chemistry (QC, MD and similar)
>> > which
>> > answ
(Cross-posted as may be of interest, further announcements will not be
posted here)
-- Forwarded message --
From: Noel O'Boyle
Date: 24 March 2011 12:36
Subject: Announcing 2nd Open Babble - Pre-registration now open
To: Openbabel-DEV ,
openbabel-disc...@lists.sourceforg
As a first step towards branding, please find attached an Inkscape SVG
version of the blue obelisk logo. (I'll put a link on the wiki
eventually, but consider this a backup in the cloud.)
I'm using this to generate a little blue obelisk for the cover of the
OB user guide (to be published this side
On 14 February 2011 13:55, Noel O'Boyle wrote:
>> I have to think there's a way to script this if the database can't be
>> migrated.
>
> I've successfully migrated cclib's mediawiki to SF's wiki. It was a
> frustrating experience figuring it
On 10 February 2011 15:16, Geoffrey Hutchison wrote:
>
> On Feb 10, 2011, at 5:22 AM, Egon Willighagen wrote:
>
>> Agreed. I think at the time SF did not offer a MW install yet...
>
> That's right. They woke up and realized they had a few thousand MW installs,
> all of which needed patching, and
On 10 February 2011 10:22, Egon Willighagen wrote:
> On Thu, Feb 10, 2011 at 10:14 AM, Noel O'Boyle wrote:
>> I think we should consider moving to using the SourceForge provided
>> mediawiki, as does http://cdk.sf.net. That one is still up, and it's
>> no
On 10 February 2011 09:54, Egon Willighagen wrote:
> Hi Greg,
>
> On Thu, Feb 10, 2011 at 9:46 AM, Greg Landrum wrote:
>> On Thu, Feb 10, 2011 at 10:21 AM, Egon Willighagen
>>> SourceForge-- (for not giving a warning...)
>>
>> This criticism is unjustified. After the attacks on the site, the
>> f
Hi all,
SourceForge have just changed everything on their server, so the wiki
is down. I'll sort it out by and by...
- Noel
--
The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE:
Pinpoint memory and
Hi all,
As Peter mentioned, I'll be working with Egon and also Rajarshi to
pull together information on the Blue Obelisk from the last number of
years. Once we have a deadline for the paper, we'll get some ideas
together and be back to this list to get feedback, and input from
others.
Regards,
Hi all,
I'm putting together a blue obelisk poster for PMR's hackfest on
Friday week. I'm thinking about including a wordle consisting of a
jumble of people's names and projects. If you want to see your name
added please email me off list or better still edit the public google
doc (which hopefully
Great news.
The license is compatible with the GPL v3 but not v2
(http://www.gnu.org/licenses/license-list.html#GPLCompatibleLicenses).
- Noel
On 30 September 2010 08:06, Jérôme Pansanel wrote:
> Hi,
>
> I've read the following on the CCL list. Is the Educational Community License
> 2.0 a Free
On 30 July 2010 19:51, Geoffrey Hutchison wrote:
>> even if all the code was rewritten, the code ownership would not change
>> at least if the changes are incremental. If this is true, you might be
>> unable to relicense OpenBabel without permission from OpenEye even if
>> all the original code is
On 21 July 2010 18:15, Peter Murray-Rust wrote:
>
>
> On Wed, Jul 21, 2010 at 2:18 PM, Bryan Bishop wrote:
>>
>> -- Forwarded message --
>> From: Wilfried Langenaeker
>> Date: Wed, Jul 21, 2010 at 12:49 AM
>> Subject: Silicos goes Open Source
>> To: "Bryan Bishop"
>>
>>
>> PRESS
On 21 July 2010 15:25, Rajarshi Guha wrote:
> On Wed, Jul 21, 2010 at 9:59 AM, Noel O'Boyle wrote:
>> I won't be in Boston, but I have a suggestion.
>>
>> During my ACS talk in March I mentioned the BO dinner (which had
>> already taken place), and a coupl
I won't be in Boston, but I have a suggestion.
During my ACS talk in March I mentioned the BO dinner (which had
already taken place), and a couple of people came up afterwards to ask
about it. Maybe you should consider advertising it more widely or
perhaps having a slide at the end of talks by mem
Do you mean a validation test set? I don't think there is any standard set.
You could take a look at the test suites of the various BO projects
(OpenBabel, CDK, RDKit, even JOELib) and put one together.
A standard set would be very useful. If you do create one, could you email
this list with the d
Hello all,
I want to bring the new BlueObelisk Q&A site to the attention of the
members of this list: http://blueobelisk.shapado.com/
Please help answer questions such as:
(1) What skills/background is necessary to contribute to open source
chemistry software?
(2) Open Data for mass spectrometry?
On 31 March 2010 17:19, Peter Murray-Rust wrote:
>
>
> On Wed, Mar 31, 2010 at 5:43 PM, Geoffrey Hutchison wrote:
>>
>> > More accurately, however, I have watched while a compchem syadmin expert
>> > has spent an hour compiling MPQC. This requires the BLAS/LAPACK library
>> > which took him a con
Did your expert try "apt-get install mpqc"? This works for me on an
old Ubuntu (9.04).
u...@ubuntu904desktop:~/Tools/cinfony$ apt-cache search mpqc
libopenbabel-dev - Chemical toolbox library (development files)
libopenbabel3 - Chemical toolbox library
gabedit - graphical user interface to Ab Init
Here's another one...Octopus
http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page
On 31 March 2010 13:28, Peter Murray-Rust wrote:
>
>
> On Wed, Mar 31, 2010 at 12:29 PM, Egon Willighagen
> wrote:
>>
>> On Wed, Mar 31, 2010 at 12:23 PM, Noel O'Boyle
On 31 March 2010 11:10, Peter Murray-Rust wrote:
> This is brilliant - thanks everyone. I had talked to some of the PSI people
> two years ago but had forgotten about it.
>
> On Wed, Mar 31, 2010 at 11:55 AM, Noel O'Boyle wrote:
>>
>> And of course, pyquante. Severa
And of course, pyquante. Several packages use the Libint GPL library
(http://www.files.chem.vt.edu/chem-dept/valeev/software/libint/libint.html)
including the aforemention PSI3 and MPQC. So does ORCA, but through
the magic of licenses, this is not open source!
Pretty much every plane-wave pseudopo
On 11 March 2010 17:17, Konstantin Tokarev wrote:
>
>
>> Is this related to the proposed interchange of scene information
>> between PyMol and Jmol I saw on the webs? If not, it might be a good
>> idea to google that and get them on board.
>
> I didn't know about it. Is it related to CML format?
Is this related to the proposed interchange of scene information
between PyMol and Jmol I saw on the webs? If not, it might be a good
idea to google that and get them on board.
- Noel
On 11 March 2010 16:45, Konstantin Tokarev wrote:
> Hello, colleagues!
>
> There are some parameters, which are
On 8 March 2010 17:50, Geoffrey Hutchison wrote:
>> any suggestions regarding where to meet for the Blue Obelisk Dinner in SF?
>
>
> Buca di Beppo? It's close to the Moscone Center, although I didn't check if
> it's also close to the hotel. I'd like to make sure we can get back to the
> Sci-Mix
On 3 March 2010 14:48, Craig James wrote:
> Noel O'Boyle wrote:
>>
>> Are some of the wedge/hash bonds in typical MOL files unrelated to
>> stereochemistry? That is, are some purely for depiction? If I knew
>> this for sure, I would not retain the wedge/hash bond
On 2 March 2010 11:23, Greg Landrum wrote:
> Dear Noel,
>
> Thanks for the repost; this helps.
>
> My 2 cents are below.
>
> On Tue, Mar 2, 2010 at 11:34 AM, Noel O'Boyle wrote:
>> On 2 March 2010 09:40, Peter Murray-Rust wrote:
>>> Thanks,
>>>
On 2 March 2010 11:23, Greg Landrum wrote:
> Dear Noel,
>
> Thanks for the repost; this helps.
>
> My 2 cents are below.
>
> On Tue, Mar 2, 2010 at 11:34 AM, Noel O'Boyle wrote:
>> On 2 March 2010 09:40, Peter Murray-Rust wrote:
>>> Thanks,
>>>
On 2 March 2010 09:40, Peter Murray-Rust wrote:
> Thanks,
> This is a useful initiative
>
> On Tue, Mar 2, 2010 at 9:14 AM, Noel O'Boyle wrote:
>>
>> (Reposted from my blog following Greg's suggestion )
>>
>> Hello all,
>>
>> Right now
(Reposted from my blog following Greg's suggestion )
Hello all,
Right now, I'm adding stereo (i.e. double bond stereochemistry, and
chirality) to the MDL Mol format in OpenBabel. There are three places
where stereochemical information can be stored in these files: the
coordinates, the atom parity
The original Blue Obelisk *is* somewhere in SF, right?
On 4 February 2010 21:11, Rajarshi Guha wrote:
> On Thu, Feb 4, 2010 at 1:20 PM, Noel O'Boyle wrote:
>> Sounds good. I note that Harry's Party is on the Monday 5:30 - 7:30pm
>> (according to Rajarshi) so we coul
Sounds good. I note that Harry's Party is on the Monday 5:30 - 7:30pm
(according to Rajarshi) so we could meet there and head for dinner for
example.
- Noel
On 4 February 2010 16:48, Geoffrey Hutchison wrote:
> Hello fellow open-source chemistry folks!
>
> It's about 6 weeks before the upcoming
2009/12/8 Peter Murray-Rust :
> Thanks Egon,
> Here's my take.
> There are very few standards which are Open in the sense that there has been
> or is communal Open authoring of the standard. Even where there is community
> input the result is usually moderated by a small group. If the results of
>
Follow the link at the bottom of the email.
2009/11/12 A. Tarık PEKEL :
> I want to leave from mailing list
>
> thaks
>
> --
> Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day
> trial. Simplify y
One last question - consider the effect of someone else setting up a
compchem Exchange. Would this mean we would have to duplicate our
efforts on both sites?
- Noel
2009/11/11 Egon Willighagen :
> On Wed, Nov 11, 2009 at 1:43 PM, Rajarshi Guha
> wrote:
>>> Then again, perhaps there *is* enough
Just edit your account settings to include your name.
2009/11/11 Peter Murray-Rust :
> I'm still having difficulties logging in. When I try my Google OpenID I get
> the kitten "Oops we fouled up" and when I get in otherwise it anonymises me.
>
> P.
>
> On Wed, Nov 11, 2009 at 12:32 PM, Peter Murra
2009/11/11 Egon Willighagen :
> On Wed, Nov 11, 2009 at 1:17 PM, Peter Murray-Rust wrote:
>> The question of availability of SW is unclear but I think we should
>> definitely go with what Egon has set up. I had seen wider questions like:
>> * what is a good introduction to Lewis structures?
>> * w
There is already a SO for science. General chemistry questions can be
asked there: http://sciencestack.com/
2009/11/11 Peter Murray-Rust :
> This is a fantastic idea. Well done Egon. (I was considering myself but
> somehow had failed to connect BO and SO).
>
> I am an addict for SO and I think the
2009/11/11 Egon Willighagen :
> On Wed, Nov 11, 2009 at 12:08 PM, Noel O'Boyle wrote:
>> Nice!! I looked into this before, but I thought you had to pay like
>> $80 a month or so to set up one of these.
>
> Well, it's free *as long as* the beta remains... might e
Nice!! I looked into this before, but I thought you had to pay like
$80 a month or so to set up one of these.
I don't want to discourage you, but I have the impression that
StackOverflow sites are really most useful if there is a critical mass
of people. How about considering the whole comp chem c
Hello Ganesh,
Only an admin can create an account. I'll contact you off list with a
username and password
- Noel
2009/11/10 Egon Willighagen :
> On Tue, Nov 10, 2009 at 12:38 PM, Ganesh V wrote:
>> Thanks for your mails. Yup I would like to join the community and also
>> would like MeTA Stu
Thanks for letting us know Rajarshi. Words fail me.
2009/11/5 Rajarshi Guha :
> Warren passed away a few days ago
>
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind0911&L=CCP4BB&T=0&F=&S=&P=36074
>
> --
> Rajarshi Guha
> NIH Chemical Genomics Center
>
>
The issue has been resolved. I logged in to my settings page, and was
able to change my name from "Noel O'Boyle" to "Noel O'Boyle". My
displayed name changed from "Noel O\'Boyle" to "Noel O'Boyle" and
there was no problem accessing https:
Hello all,
When I access http://sf.net without logging in (in Firefox 3.0 or IE
on WinXP), it's fine. However, if I log into SourceForge, I get "Error
500". This is new for me.
Can anyone check whether they have the same problem before I log a
support request? I have a feeling it's because of the
2009/5/19 Geoffrey Hutchison :
>> I was surprised to see Amber mentioned as being funded by the NIH.
>> Isn't this commercial and proprietary?
>
>
> No, Amber is GPL'ed now -- I think as of Amber version 10.
> http://ambermd.org/
>
> A surprising number of NIH-funded software is now open source. Th
Well said, Rajarshi and PMR.
I was surprised to see Amber mentioned as being funded by the NIH.
Isn't this commercial and proprietary?
- Noel
2009/5/19 Rajarshi Guha :
>
>
> Begin forwarded message:
>
> From: "Vivien Marx"
> Date: May 18, 2009 8:33:41 PM GMT-04:00
> To:
> Subject: the story fo
2009/5/18 Egon Willighagen :
> On Mon, May 18, 2009 at 10:11 AM, Noel O'Boyle wrote:
>> Not to discourage you, but several (if not the majority) of the
>> references to the BO paper are by people trying to find a citation for
>> OpenBabel. I am hoping that this problem w
Not to discourage you, but several (if not the majority) of the
references to the BO paper are by people trying to find a citation for
OpenBabel. I am hoping that this problem will eventually be resolved
:-)
- Noel
2009/5/18 Egon Willighagen :
> Hi all,
>
> I was just blogging about Open Data, an
No, but would http://polyview.cchmc.org/polyview3d.html help for your
purpose? It can make animated gifs for PPT.
- Noel
2009/2/23 Jan H. Jensen :
> Hi,
>
> does anyone have any experience with embedding java scripts (ideally
> Jmol) in pdf or powerpoint files?
>
> Best regards, Jan
> --
> =-=-=-
The forthcoming upgrades on SourceForge (incl. MySQL, PHP) will
probably send all mediawikis offline (incl. BO, cclib, Avogadro,
others?). I'm not sure of an exact timeframe, but it may be worthwhile
backing them up in the near future, and then locking them down until
after the upgrade process...
> Message: 9
> Date: Thu, 1 May 2008 20:56:14 +0200
> From: "Egon Willighagen" <[EMAIL PROTECTED]>
> Subject: Re: [Blueobelisk-discuss] Revised Covalent Radii
> To: "Geoffrey Hutchison" <[EMAIL PROTECTED]>
> Cc: blueobelisk-discuss@lists.sourceforge.net
> Message-ID:
> <[EMAIL PROTEC
I've added a page on the recent BO meeting at the NO ACS at:
http://blueobelisk.sourceforge.net/wiki/Spring_ACS_Conference_in_New_Orleans
If you were there, let me know if you want the original images.
Noel
-
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