Our Policy lays out the principles under which Ligandbook operates. In particular it defines how the data are licensed and how we deal with personal information stored in the database.

If you have any questions, concerns, or comments regarding this policy please contact one of the individuals listed in the Contact section.

Preamble — striving for Open Knowledge

Scientific progress benefits from data that anyone can access, use, modify, and redistribute without encumberance, as spelt out in the Open Knowledge Definition.

Scientists tend to subscribe to this point of view as part of their common work ethos. However, to avoid any ambiguity, we are expressing clearly the legal status for each data set. (If you wonder if this is necessary you can read the Open Data Commons FAQ.)

Definition of terms

parameter files, parameters, data
In the following, parameter files or parameters means any user-deposited files that are published through this web site. Typically, these files contain topologies, force field parameter values, and coordinates. Uploaded files are stored without modifications in the Ligandbook database.
meta data
Meta data are user-supplied data other than files; this includes abstracts and comments.
A collection of parameter files for one molecule type in a specific force field and software file format is termed a package. A package is the unit in which parameters are deposited. A package also contains meta data.
The curator of a package is the registered user who deposits the parameter files. Curators have exclusive write and editing access to their submitted files. Note that a curator does not have to be the author of the parameter files.

Licensing of data

Parameter files

On deposition of parameter files, the curator must accept the CC-BY-SA license for the data and agree that all associated meta data will be placed into the public domain through the CC0 dedication. If the curator does not have the authority to publish the data under these terms then they cannot upload the package.

A curator has the authority to publish the parameter files either because they own the copyright, or because they have obtained permission from the copyright holder, or because the data's licence grants this permission.

If the parameters were derived by the curator or if the curator is an author on the primary citation then they own the copyright on their work unless they explicitly transferred copyright. In general, a copyright holder can freely choose a licence or decide to place the uploaded files into the public domain. Specifying a licence such as the Creative Commons Attribution-Share Alike Licence described below does not in any way compromise the copyright; the copyright holder is free to licence the same files to other parties under completely different terms.

Parameter files can only be downloaded from the site if the package has a licence associated with it.

Ligandbook database and site

The Ligandbook database is made available under the Open Database Licence: http://opendatacommons.org/licenses/odbl/1.0/. Any rights in individual contents of the database are licensed as indicated by the individual package licence. All meta data (abstracts, comments, ...) are placed into the public domain through the CC0 1.0 Universal (CC0 1.0) Public Domain Dedication.

Ligandbook's static content (i.e. the text apart from user-supplied content as defined above and logos) is published under the Creative Commons Attribution Licence. It means you can use text and styles as long as you link back to Ligandbook.

License for Parameter Files

On deposition, the curator must accept a licence that conforms to the Open Knowledge Definition for the use of the data.

cc-by-sa   Open Knowledge
The Creative Commons Attribution-Share Alike (CC BY-SA) Licence allows anyone to use, modify, and distribute your work, provided they attribute it to you (e.g., by citing you) and if they distribute it they must do so under the same or a compatible licence.

In order to encourage interoperability and re-use as well as to maintain simplicity in the long run, only the CC-BY-SA licence is offered. If you feel strongly that other licences should be available then please contact us.

License for Meta Data

Every contributor to Ligandbook agrees that all meta data (the data associated with a package that are stored in the database except the parameter files, which are licensed differently) is placed into the public domain using the CC0 dedication:

CC0   Open Knowledge
The Creative Commons CC0 1.0 Universal (CC0 1.0) Public Domain Dedication dedicates the work to the public domain by waiving all rights to the work worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law. The CC0 allows anyone to copy, modify, distribute and perform the work, even for commercial purposes, all without asking permission.

Attribution and citations

Cite the authors of the parameters that you are using! The appropriate citation can be found in the file citations.txt that is included in each package. Also check the description and the abstract of the package for further relevant citations.

Any parameter set that has been released under a Attribution-Share Alike Licence requires attribution to the original author (not the curator!). If you do not cite the original author then you cannot use these data in your work.

Names and e-mail addresses

Names and e-mail addresses are required for depositing data. This is the only way that one can link a curator to a real person. In order to ensure that data is not deposited in someone else's name we have to ensure that the address is valid.

The full name of the curator is shown for each package owned by this person. The e-mail address is not shown. (In the future we might implement a private mail feature through which short notes can be sent to a curator or a e-mail notification system when comments are posted on a package. By default we will not send e-mail from Ligandbook and have the user opt-in into any kinds of communications.) The operators will contact a curator if there are questions about the licensing of the parameters or other exceptional circumstances.

Names and e-mail addresses of persons who granted permission to include and licence a package on Ligandbook are stored in the database but are not publicly visible.

We will not pass on your personal data to any other parties or use them for any other purpose than set out here.