From invites at mailer.surveygizmo.com Mon Nov 8 14:33:20 2021 From: invites at mailer.surveygizmo.com (=?UTF-8?B?VmlzaW9uYXJ5IEFuYWx5dGljcw==?=) Date: Mon, 8 Nov 2021 07:33:20 -0500 Subject: [Cod-bugs] =?utf-8?q?Reminder_about_invitation_to_the_survey_on_?= =?utf-8?q?European_research_data_landscape?= Message-ID: To whom it may concern, We would like to kindly remind you about the?invitation to the survey on European research data landscape.?We are contacting you as a representative of Crystallography Open Database research data repository.?Visionary Analytics is conducting a study on the European research data landscape commissioned by the European Commission's Directorate-General for Research and Innovation (DG RTD). Please find the support letter here. The study covers research data production, consumption, and depositing practices in the EU, the UK, and Horizon 2020 Associated Countries. It aims to provide a detailed characterisation of the research data ecosystem in these countries. The study will provide valuable information that will support the Commission, the European Open Science Cloud (EOSC) Partnership and various other stakeholders to develop more targeted policies and implement actions to mainstream findable, accessible, interoperable, and reusable (FAIR) and open data practices in Europe. The results of the study will be openly accessible. As part of our study, we are conducting a survey of research data repositories, where we aim to collect information about the data depositing practices in research data repositories. You can start the survey by clicking https://s-d3729b-i.sgizmo.com/s3/i-qp1v5bfEwjWEuvpn56-4825585/?sguid=qp1v5bfEwjWEuvpn56. Filling out the questionnaire will take approximately 30 minutes. 20 randomly selected respondents who completed the survey will be awarded with ?100 worth Amazon gift-card. The survey is anonymous, all the collected data will be anonymised before the analysis. More information about the data protection and privacy is available here. If you need to pause and continue later, you will be directed to the point where you paused the survey when using the same link. Your progress is saved once you proceed to the next survey page. If you have already filled the survey but received another invitation, please do not respond for the second time, and inform us about the situation by writing to survey.erdl at visionary.lt. If you believe that someone else from your organisation is in a better position to take part in the survey pilot, please forward this invitation to them. If you have any questions, please do not hesitate to contact us at survey.erdl at visionary.lt. ? Thank you for your cooperation in advance. This message was sent by Visionary Analytics, M. Valanciaus g. 1A, Vilnius, LT-03155. https://s-d3729b-i.sgizmo.com/s3/i-qp1v5bfEwjWEuvpn56-4825585/unsubscribe?uid=92b25964e7f5fe61531beaf8c55d13a6 -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: From nbehrnd at yahoo.com Sun Nov 14 12:39:51 2021 From: nbehrnd at yahoo.com (Norwid Behrnd) Date: Sun, 14 Nov 2021 11:39:51 +0100 Subject: [Cod-bugs] bond assignment by cod-tools vs approach by Jmol References: <20211114113951.18f923ea.ref@carnot2> Message-ID: <20211114113951.18f923ea@carnot2> Dear maintainers of COD, on occasion, codtools used to rewrite content of .cif as a .sdf file may assign a bond between cations and anions, e.g., between Ca^{2+} and hydrogenphosphate in entry #2106184. Of course, this may be adjusted by an manual edit of the .sdf file written. Andrius Merkus equally told me you already were working on this, too. Thus, the following only intends to indicate to you about two threads in the Jmol user list of the previous week which might be relevant / potentially interesting for you: + ?Covalent bond cutoff distances?? initiated by Eric Martz on November 11th https://sourceforge.net/p/jmol/mailman/jmol-users/thread/153629a7-7cdf-6199-0e75-eed1f2d1b976%40microbio.umass.edu/#msg37383336 + ?DOCUMENTATION autobonding?, initiated by Eric Martz on November 13th https://sourceforge.net/p/jmol/mailman/jmol-users/thread/74af0e8d-cdbb-0e57-530e-8be92a973dc6%40microbio.umass.edu/#msg37384351 With best regards, Norwid Behrnd -------------- next part -------------- A non-text attachment was scrubbed... Name: not available Type: application/pgp-signature Size: 833 bytes Desc: OpenPGP digital signature URL: