From nbehrnd at yahoo.com Fri Jan 29 10:20:08 2021 From: nbehrnd at yahoo.com (Norwid Behrnd) Date: Fri, 29 Jan 2021 08:20:08 +0000 Subject: [Cod-bugs] COD, Geoffrey Hutchison, possible mirror References: <20210129082008.1de2ab19.ref@carnot2> Message-ID: <20210129082008.1de2ab19@carnot2> Dear Ladies and Gentlemen, with this e-mail I would like to take the opportunity to bring both you, the maintainers of the COD, and you, Geoffrey Hutchison, into contact. DataWarrior is a program offering to compute and manage (physicochemical) data of small organic molecules.[1] In the past, data of the COD already entered DataWarrior as an additional resource to work with, too.[2] In the program's user forum, Geoffrey Hutchison of the University of Pittsburgh and maintainer of e.g., OpenBabel,[3] mentioned the interest to set up an additional mirror of the database.[4] Because of your welcoming care for the interested for this type of data, and because of the work in the field of open source science by him and his group, I speculate a direct contact between the two of you may be fruitful for both sides. Thus, this e-mail is written with the intent to support the exchange between the two of you. This being said, I leave it to you to continue from here. With best regards, Norwid Behrnd [1] http://openmolecules.org/datawarrior/index.html [2] http://www.openmolecules.org/datawarrior/datafiles.html [3] a) https://www.chem.pitt.edu/person/geoffrey-hutchison b) https://hutchison.chem.pitt.edu/ [4] http://openmolecules.org/forum/index.php?t=msg&goto=1200&#msg_1200 -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. From grazulis at ibt.lt Fri Jan 29 10:32:02 2021 From: grazulis at ibt.lt (=?UTF-8?Q?Saulius_Gra=c5=beulis?=) Date: Fri, 29 Jan 2021 10:32:02 +0200 Subject: [Cod-bugs] COD, Geoffrey Hutchison, possible mirror In-Reply-To: <20210129082008.1de2ab19@carnot2> References: <20210129082008.1de2ab19.ref@carnot2> <20210129082008.1de2ab19@carnot2> Message-ID: <50647c84-f9e8-d592-43a0-cc45d5b36440@ibt.lt> Dear Norwid, Thanks a lot for this info! I thing COD new mirrors are very welcome, especially by such highly qualified chemioinformatics team as Geoffrey and the Open Babel developers! I'll come back with more details and suggestions in a short while. Sincerely yours, Saulius On 2021-01-29 10:20, Norwid Behrnd wrote: > Dear Ladies and Gentlemen, > > with this e-mail I would like to take the opportunity to bring both > you, the maintainers of the COD, and you, Geoffrey Hutchison, into > contact. > > DataWarrior is a program offering to compute and manage > (physicochemical) data of small organic molecules.[1] In the > past, data of the COD already entered DataWarrior as an additional > resource to work with, too.[2] > > In the program's user forum, Geoffrey Hutchison of the University of > Pittsburgh and maintainer of e.g., OpenBabel,[3] mentioned the > interest to set up an additional mirror of the database.[4] > > Because of your welcoming care for the interested for this type of > data, and because of the work in the field of open source science by > him and his group, I speculate a direct contact between the two of > you may be fruitful for both sides. Thus, this e-mail is written > with the intent to support the exchange between the two of you. > > This being said, I leave it to you to continue from here. With best > regards, > > Norwid Behrnd > -- Dr. Saulius Gra?ulis Vilnius University Institute of Biotechnology, Saul?tekio al. 7 LT-10257 Vilnius, Lietuva (Lithuania) fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353 mobile: (+370-684)-49802, (+370-614)-36366 -------------- next part -------------- A non-text attachment was scrubbed... Name: signature.asc Type: application/pgp-signature Size: 213 bytes Desc: OpenPGP digital signature URL: