Top Tweets for #CSDTopTipTuesday
Another year of data sharing has started! Sharing your crystallographic data in the CSD has benefits for the authors and for the entire community. Do you know all these benefits? Read more: https://t.co/UVXXzRT8Lv
#CSDTopTipTuesday #TopTipTuesday #crystallography #chemtwitter
Clarity and beauty of your images are important for storytelling. When rendering with POV-Ray in Mercury, you can choose the best Material Properties for your scope. Learn more: https://t.co/i3xEgqDf3q #CSDTopTipTuesday on CSD Entry CAZXEH. #chemtwitter #edchat #scichat
For a festive smell, you can search for “cinnamaldehyde” in Access Structures. Write the name in the compound name field. In which ingredient can you find this molecule? Search the CSD: https://t.co/MataXdExpx #CSDTopTipTuesday on CSD Entry YADJUK #chemtwitter #edchat #scichat
Poinsettia flowers or CSD entry ABIJIG? Create your favourite style in Mercury: click Manage Styles, then copy and rename a style; edit it (e.g., element colours), apply it, and you are set! Watch the video: https://t.co/z5dT55xCzY #CSDTopTipTuesday #chemtwitter #edchat #scichat
Understanding the content of a CIF really helps with editing, visualising, or analysing it. Read our short guide to Crystallographic Information Files (CIFs), a quick summary of the must-know points to get started with CIFs: https://t.co/sRnYUI0hbo #CSDTopTipTuesday #chemtwitter
In Mercury you can learn about structures bioactivity from More Info. To include this field, go to Customise, select Bioactivity from Available Items and click Add. #CSDTopTipTuesday shown on CSD Entry OLOFUQ.
#chemtwitter #WAAW #AMR #HandleWithCare
https://t.co/vFlL0pIThX
Do you do BFDH Morphology calculations in Mercury? You can change the colour of the faces of the prism from the Morphology window by clicking on the colour swatches. Watch the how-to video: https://t.co/r3YaGZatR0 #CSDTopTipTuesday on CSD Entry FIGYID. #chemtwitter
Do you need to visualise ligands more clearly in Hermes? Edit the default ligand style from Display>Style Preferences.
Learn more at our Virtual Workshop on GOLD at 3pm GMT today! Spaces still available: https://t.co/43XxdjD6vO
#CSDTopTipTuesday #drugdiscovery #chemtwitter
To analyse hits within a range in Mogul, select bars of the histogram by clicking and dragging over the rectangles underneath.
Learn more at our Virtual Workshop: https://t.co/zSQEZmWt7t and with CSDU:https://t.co/89i4pUR1dd
#CSDTopTipTuesday on CSD Entry GUSRER #chemtwitter
#CSDTopTipTuesday During deposition fill in “Deposition number(s) for revision” only when resubmitting previously deposited data. For new data, keep it empty. Compound name, temperature and more are added at the Enhance data step.
Learn more: https://t.co/7h4jQAkkLc #chemtwitter
You can use ConQuest results saved in .gcd format in other CSD Software. For example, in Mercury go to File>Open and select your .gcd file. The list of refcodes will be in the Structure Navigator. #CSDTopTipTuesday #chemtwitter #chemistry #crystallography https://t.co/g5k5Qs3FZ7
Try the new Hydrogen Bond Statistics tool for #solidform risk assessment! In Mercury: CSD-Materials>Hydrogen Bond Statistics, pick settings, then hit Search. The results are in a table and plots. 👇 https://t.co/ainK6etzoz
#CSDTopTipTuesday on CSD Entry DEDMUX #chemtwitter
Are your structures #polymorphs? Compare them in Mercury with Crystal Packing Similarity. Go to CSD-Materials>Search>Crystal Packing Similarity>add your structure>Compare. #CSDTopTipTuesday shown on CSD entries JURZOO and JURZOO01. Learn more: https://t.co/gosLSdIGyT #chemtwitter
Create impressive high-res images of your crystal structure! In Mercury go to File>POV-Ray Image. Set resolution, format, background colour and material properties then click Render. Learn more: https://t.co/i1cZh1TGPb #CSDTopTipTuesday shown on CSD Entry SUZWER #chemtwitter
Have you assigned bond types in Mercury, but still cannot see a circle in the aromatic rings? To enable this representation: right click>Styles and tick Display Aromatic Rings. #CSDTopTipTuesday on CSD Entry ABEGIY #TopTipTuesday #chemtwitter #chemistry https://t.co/6DBUseNeug
Need to assign or change bond types in Mercury? Go to Edit>Edit Structure. In the Manual Edit tab you can use Set Bond Type to pick bond type, then click on the bonds you wish to change. #CSDTopTipTuesday shown on a paracetamol molecule #chemtwitter https://t.co/BbZkAuDWXA
In Mercury you can generate Full Interaction Maps for a specific part of your molecule. To do so select the atoms you want to include (you can use Lasso!) before calculating the FIMs. #CSDTopTipTuesday shown on CSD entry FEFBEX #TopTipTuesday #chemtwitter
https://t.co/KvKaGbxPij
Still picking out individual atoms in Mercury to choose a whole functional group? Try the lasso picking mode! Right click>Picking Mode>Lasso Atoms>draw a ring around the desired group.
#CSDTopTipTuesday on CSD entry KUDFEW03 #chemtwitter #crystallography https://t.co/T48o5VJU4K
Did you know that you can change the colour of probes of Full Interaction Maps? From the Full Interaction Maps window, click on the colour next to a probe to pick a new colour.
#CSDTopTipTuesday shown on CSD entry JURZOO
#TopTipTuesday #chemtwitter
Use ConQuest to search the CSD with 3D parameters (Draw>ADD 3D) and see values in the Diagram window. You can also view values overlaid on the structure in the 3D Visualiser window. Use bottom arrows to select a parameter. #CSDTopTipTuesday #crystallography #chemtwitter
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