# Database Integration / Downloads **URL:** \ **Category:** General Discussion\ **Created:** [April 17, 2021, 7:04pm UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482 "2021-04-17T19:04:39Z")\ **Posts on this page:** 10\ **Page:** 1
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [April 17, 2021, 7:04pm UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/1 "2021-04-17T19:04:39Z")
**I’d like some feedback.. what are some good databases that provide 3D coordinates and search capabilities?** In Avo2, there’s support for importing molecules from PQR (the Pitt Quantum Repository). It needs some work. But as part of that work, I’d like to expand the “search a database” to other sources. ![Screen Shot 2021-04-17 at 2.59.12 PM](https://discuss.avogadro.cc/uploads/default/original/1X/a724816009d812146db72327108ce33838cdac34.jpeg) ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [April 17, 2021, 7:09pm UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/2 "2021-04-17T19:09:19Z")
**PubChem** > **[PubChem](https://pubchem.ncbi.nlm.nih.gov/)** > > PubChem is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity... There’s access for programs like Avogadro through the “PUG” API, which returns results for queries. This even includes images: [![](https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/lipitor/PNG) ](https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/lipitor/PNG) ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [April 17, 2021, 7:12pm UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/3 "2021-04-17T19:12:13Z")
**Crystallographic Open Database** [http://crystallography.net/cod/](http://crystallography.net/cod/) This doesn’t have an image preview, but has a variety of useful data as a “preview:” [http://crystallography.net/cod/1515581.html](http://crystallography.net/cod/1515581.html) ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [January 2, 2023, 1:16am UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/4 "2023-01-02T01:16:24Z")
**AFLOW Prototypes** The AFLOW project has generalized the older Navy Crystal Prototypes, now offering 1100 common crystal structures for substitution, lattice scaling, etc. It does offer PNG previews, e.g. ![](https://discuss.avogadro.cc/uploads/default/original/2X/3/3e8d4e4ec374fa271fc164bc4d8a8a7307869510.png) > **[Prototype Index](https://aflow.org/prototype-encyclopedia/prototype_index.html)** ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [January 2, 2023, 1:18am UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/5 "2023-01-02T01:18:05Z")
**Northwestern MOF Database** > **[MofDB: A database of MOFs/Xeolites](https://mof.tech.northwestern.edu/)** > > Millions of simulated isotherms for mofs and xeolites with easy api access ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [January 2, 2023, 1:20am UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/6 "2023-01-02T01:20:12Z")
**International Zeolite Database** Includes previews, e.g. (ABW) ![](https://discuss.avogadro.cc/uploads/default/original/2X/e/eaf3d2a812c2cec3e3bf823d155abee9be3e5d4e.jpeg) > **[Database of Zeolite Structures](http://www.iza-structure.org/databases/)** ---
**Author:** ![Thomas](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/thomas/32/3403_2.png) [@Thomas](https://discuss.avogadro.cc/u/Thomas)\ **Post date:** [January 4, 2023, 8:28pm UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/7 "2023-01-04T20:28:25Z")
Is there a way Avogadro could access PubChem’s 3D conformers _directly_ based on the record’s CID number? This is based on an answer [here](https://discuss.avogadro.cc/t/homopolymers-build/4150/2) and the observation that section 1.2 for this entry is a non-flat 3D conformer _in NIH’s interactive depiction_. The .sdf fetched from this section’s interface however was flat 2D, requiring an `Ctrl + Alt + O` geometry optimization to obtain a _more_ reasonable conformer. ---
**Author:** ![Thomas](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/thomas/32/3403_2.png) [@Thomas](https://discuss.avogadro.cc/u/Thomas)\ **Post date:** [January 4, 2023, 8:31pm UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/8 "2023-01-04T20:31:37Z")
If one doesn’t mind that the entries live _in silico_ only, COD’s sibling [Theoretical Crystallography Open Database](http://www.crystallography.net/tcod/) may be of interest, too. ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [January 5, 2023, 8:17pm UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/9 "2023-01-05T20:17:42Z")
Yes, for molecules that have a 3D geometry, one can get the generated conformer. Not sure what happened for you, but there is definitely a 3D SDF file for that compound. ---
**Author:** ![Thomas](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/thomas/32/3403_2.png) [@Thomas](https://discuss.avogadro.cc/u/Thomas)\ **Post date:** [January 5, 2023, 9:19pm UTC](https://discuss.avogadro.cc/t/database-integration-downloads/3482/10 "2023-01-05T21:19:08Z")
Affirmative, display and download of the .sdf in section “1.2 3D Conformer” retain the 3D information of the conformer NIH deposit. It is uncertain if I picked a wrong file, back in the day.