Search

28 Mar 2023: This is usually used to store a table of values, such as atom. ... hkl files. Older versions of refinement programs (e.g., SHELXL-97) may not do this.

13 Jun 2023: Materials For this workshop we will use the files that you can download from here. ... For the purposes of this example, click the white colour box as shown.

20 Dec 2023: WCSD-002. 2. Introduction. This workshop will introduce you to advanced searching using WebCSD. ... 10) This time, a single result, only BUXNUD01 is returned. You may wish to.

17 Jan 2023: Materials For this workshop we will use the files that you can download from here. ... Provided Input Files. Please download and unzip the input files from this link.

23 Jun 2023: performed analysis steps. This workshop is an introduction to the CSD Python API. ... Materials. For this workshop you will need the file example.cif that you can download here.

17 Jan 2023: Materials For this workshop we will use the file 1JR1_ligand.pdb that you can download. ... from this link. Example of the Mogul geometry assessment interface. MOG-001 3.

17 Jan 2023: Materials. For this workshop you will need the file example.cif that you can download here. ... accessing the underlying molecule from this entry. Add. these lines to your script:.

27 Mar 2024: Please see this FAQ for details on how to resolve any issues duringinstallation. ... This will involve the following steps:. Download the online CSD Release installer from https://www.ccdc.cam.ac.uk/support-and-resources/csdsdownloads/.This will require

17 Jan 2023: Please download the example folder of input files. Is this an easy docking? ... 2. Use File > Open… to load 2w5y_protein.mol2. This file includes the.

17 Jan 2023: Materials For this workshop we will use the files that you can download from here. ... Specify this ligand by clicking Add at the bottom of the GOLD Setup window.