Re: [BlueObelisk-discuss] Open Standards - Open Specifications

2009-12-13 Thread Andrew Dalke
This video presentation was quite good, and relevant to this topic: Paul Downey Standards are Great, but Standardisation is a Really Bad Idea http://www.infoq.com/presentations/downey-standards-great-standardization-bad He mentions the Open Web Foundation, at

Re: [BlueObelisk-discuss] Input needed: Open Standards or Open Specifications?

2010-02-16 Thread Andrew Dalke
On Feb 16, 2010, at 3:56 PM, Peter Murray-Rust wrote: Yes frequently. Daylight have consistently refused to publish algorithms. I assume you mean the canonicalization algorithm. As that algorithm does not affect the use of SMILES as a chemical exchange format (for example, OpenSMILES does not

Re: [BlueObelisk-discuss] Input needed: Open Standards or Open Specifications?

2010-02-19 Thread Andrew Dalke
On Feb 19, 2010, at 8:08 AM, Peter Murray-Rust wrote: GeoffH has made a useful suggestion (on the BO Stack Overflow, If [a spec/standard] is freely modifiable, then it's likely to fragment. Look at HTML for an example. Except as I pointed out in my comment to Geoff, the HTML specification is

Re: [BlueObelisk-discuss] Input needed: Open Standards or Open Specifications?

2010-02-19 Thread Andrew Dalke
On Feb 19, 2010, at 9:06 AM, Peter Murray-Rust wrote: I take a completely different view here. There were several early implementations of CML done without my knowledge or the simple courtesy of contacting me/Henry. There are programs supplied by commercial companies which save as CML and

Re: [BlueObelisk-discuss] Input needed: Open Standards or Open Specifications?

2010-02-19 Thread Andrew Dalke
On Feb 19, 2010, at 10:11 AM, Peter Murray-Rust wrote: Taking a step back... .. That's the totality of the formality. Our terms are vague. I believe deliberately. That is not the issue at hand. The Blue Obelisk wiki has historically stated

Re: [BlueObelisk-discuss] Open Quantum Mechanics codes?

2010-03-31 Thread Andrew Dalke
TJ O'Donnell: You could even run the BO linux VM on a linux host! Konstantin Tokarev: I can do it. But why? TJ: It was a joke :) More seriously, not all Linux distributions are interoperable, and getting the right combination of compilers and libraries can be tricky, so there can be reasons

Re: [BlueObelisk-discuss] Fwd: [InChI-discuss] Licensing of InChI software

2010-07-31 Thread Andrew Dalke
On Jul 31, 2010, at 12:30 AM, Egon Willighagen wrote: some legal framework kicks in to overcome this problem... I'm pretty sure it works something like that with copyright on books too... not? Not. Orphan works - http://en.wikipedia.org/wiki/Orphan_works See also abandonware -

Re: [BlueObelisk-discuss] legal rights concerning SMILES and SMARTS collections

2012-08-27 Thread Andrew Dalke
On Aug 27, 2012, at 5:37 PM, Craig James wrote: I'm not a lawyer, but ... There is a difference between the BindDB data and what the users enter. The terms under which the data are licensed have nothing to do with who owns the user-entered queries. I looked around the BindDB web site and

Re: [BlueObelisk-discuss] legal rights concerning SMILES and SMARTS collections

2012-08-27 Thread Andrew Dalke
On Aug 27, 2012, at 7:24 PM, Peter Murray-Rust wrote: We struggled for this for 2 years on the Panton Principles (pantonprinciples.org) and believe that a licence is highly desirable as it clarifies the position. In the first few days of summer I run errands outside and enjoy the warmth. But

Re: [BlueObelisk-discuss] legal rights concerning SMILES and SMARTS collections

2012-08-28 Thread Andrew Dalke
On Aug 28, 2012, at 9:09 PM, Stefan Kuhn wrote: I can't see how the decision you quote says that in the US database works are not protected. It basically repeats the wipo copyright convention, which says: ... So databases are protected, given they are intellectual creations, i. e. are

Re: [BlueObelisk-discuss] legal rights concerning SMILES and SMARTS collections

2012-08-28 Thread Andrew Dalke
On Aug 29, 2012, at 1:01 AM, Craig James wrote: On Tue, Aug 28, 2012 at 12:46 AM, John P. Overington j...@ebi.ac.uk wrote: I think there are some quite big issues with releasing query sets without explicit permission (informed consent) from the users. I think most users do not think that

Re: [BlueObelisk-discuss] legal rights concerning SMILES and SMARTS collections

2012-08-28 Thread Andrew Dalke
On Aug 28, 2012, at 9:46 AM, John P. Overington wrote: especially if this is not made crystal clear that future exposure of these queries is likely, or allowed Would that be disclosed in the privacy statement? What percentage of the people actually read those privacy statements? Assuming

[BlueObelisk-discuss] ODOSOS text

2012-08-29 Thread Andrew Dalke
On Aug 27, 2012, at 12:14 PM, Andrew Dalke wrote: Perhaps the Blue Obelisk Open Data page could describe what one should do in order to make their datasets open, or to disclaim any legal protections to data sets? Here is text which I think helps fill in the Open Data, Open Source, Open

Re: [BlueObelisk-discuss] ODOSOS text

2012-08-29 Thread Andrew Dalke
On Aug 29, 2012, at 10:12 PM, Craig James wrote: Coincidentally, this was on SlashDot today: Five leading Internet standards bodies have joined together to articulate a set of guidelines for the creation of open standards ... Interesting. The principles are laid out at

Re: [BlueObelisk-discuss] legal rights concerning SMILES and SMARTS collections

2012-08-29 Thread Andrew Dalke
On Aug 29, 2012, at 5:29 PM, Craig James wrote: My comments about the repercussions of releasing the data are all from a social and scientific point of view. Understood. I'm thinking that this would be an interesting topic for the free software track at GCC this fall. NetFlix screwed up

Re: [BlueObelisk-discuss] ODOSOS text

2012-08-29 Thread Andrew Dalke
On Aug 29, 2012, at 4:02 PM, Peter Murray-Rust wrote: [Please note that I personally do not have write access to the BO pages]. So, umm, who does? On Aug 30, 2012, at 12:30 AM, Peter Murray-Rust wrote: For CML Henry Rzepa was an equal partner throughout, of course. We have had this discussion

Re: [BlueObelisk-discuss] ODOSOS text

2012-08-30 Thread Andrew Dalke
On Aug 30, 2012, at 9:36 AM, Peter Murray-Rust wrote: This wasn't to argue the point - it was to make sure that Henry's contribution was recognized. Thank you for the clarification. I did indeed omit recognizing him. I suggested the mantra- ODOSOS as a phrase to concentrate around. It has

Re: [BlueObelisk-discuss] ODOSOS text

2012-08-31 Thread Andrew Dalke
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 of the activities. Blue Obelisks have been given to

Re: [BlueObelisk-discuss] legal rights concerning SMILES and SMARTS collections

2012-09-06 Thread Andrew Dalke
On Aug 30, 2012, at 1:45 AM, Andrew Dalke wrote: Understood. I'm thinking that this would be an interesting topic for the free software track at GCC this fall. Here's the abstract I sent in a few days ago (the deadline was the 1st) for the Goslar conference: === Scientific openness

Re: [BlueObelisk-discuss] [Jmol-users] PDB - OK, who's the wise guy?

2013-01-20 Thread Andrew Dalke
On Jan 20, 2013, at 1:08 PM, Andrew Dalke wrote: For kicks, I pulled up my copy of the PDB format from 1974. It says that the PDB file has: COMPND, AUTHOR, CRYST1, DECODE, REMARK Err, that was supposed to be deleted. I found that I didn't have a complete spec, dug through the old PDB

Re: [BlueObelisk-discuss] [CHMINF-L] Prize for best open source cheminformatic tool, part of the Lausanne Workshop on Chemical Information

2014-07-23 Thread Andrew Dalke
On Jul 22, 2014, at 3:50 PM, Noel O'Boyle wrote: Nice, but note the casual redefinition of open source. - Noel Because of this thread, I sent an email to the organizer for clarification. A bit of background to start off: This workshop in cheminformatics is relatively small, between 30

Re: [BlueObelisk-discuss] Compiling a List of Seminal Papers in Cheminformatics

2019-09-04 Thread Andrew Dalke
Here's another example of how it's important to know the clear goal of collecting such a list. One of the entries someone added to the spreadsheet is: Tanimoto, Taffee T. (17 Nov 1958). "An Elementary Mathematical theory of Classification and Prediction". Internal IBM Technical Report.

Re: [BlueObelisk-discuss] Intro + Possible Member

2021-12-21 Thread Andrew Dalke
H Suliman, On Dec 19, 2021, at 05:51, Suliman Sharif wrote >> When was the current state of machine representation figured out? > > I would say the 1980s was after the invention of SMILES where they used > something somewhat "readable", they got it started and now we continue is my > thought

Re: [BlueObelisk-discuss] Intro + Possible Member

2021-12-03 Thread Andrew Dalke
On Dec 3, 2021, at 02:33, Suliman Sharif wrote: > our generation gets to have a little fun where machine representation and > manipulation of chemical objects has been mostly figured out, When was the current state of machine representation figured out? As a reminder, there's an infinite

Re: [BlueObelisk-discuss] Intro + Possible Member

2021-12-02 Thread Andrew Dalke
Welcome! > On Dec 2, 2021, at 06:05, Suliman Sharif wrote: > > Is there some sort of cryptic cheminformatic puzzle I have to solve to join? What's a SMILES for a 50x50 sheet of graphene? Which US politician could be known as [Au].O , ignoring whitespace? Make a molfile which can be parsed by

Re: [BlueObelisk-discuss] First BlueObelisk article now OpenAccess

2022-01-20 Thread Andrew Dalke
On Jan 20, 2022, at 10:05, Peter Murray-Rust via Blueobelisk-discuss wrote: > > I think it's wonderful that we have an un-organization that is still going > strong. What would it look like if the organization were not going strong, but existed mostly from inertia and a lack of a better