CCP4 Practical Course 2023

Join CCP4 Practical Course 2023

CCP4 is major software package for bio-crystallography computational tasks. It covers whole data interpretation procedure including diffraction data processing, structure solution, model building and refinement, structure validation, and more. During the course, participant will familiarize with CCP4 environment and major steps. Participants are welcome to bring their own data.

 May 24-26, 2023

Venue: Institute of Biotechnology of the Czech Academy of Sciences, Biocev Centre, Vestec near Prague

Aim: The course will provide basic and applied training in evaluation of X-ray diffraction data using CCP4 software suite. The scope will cover whole procedure from processing of the diffraction images to structure validation.

Format: The course will be partially talks and partially hands-on tutorials. The participants are encouraged to bring their own data. Talks will be accessible to anyone, number of places for practicals is limited and registration is required.

Participation fee: free

To apply: Closed

Deadline: May 12, 2023

Contact to organizers:

Jan Dohnálek (CMS) – dohnalek at
Jan Stránský (CMS) – jan.stransky at

Confirmed speakers: Ronan Keegan, David Waterman, Rob Nicholls, Martin Malý, Eugene Krissinel, Maria Fando, Filomeno Sanchez Rodriguez, Jan Stránský, Jan Dohnálek

ccp4_logo CMS_logo_long2 logo_CIISB



May 24 - Primary data processing

13:00 - 13:30
Super brief introduction to Macromolecular crystallography (talk) Jan Dohnálek
13:30 - 14:00 General CCP4 overview and CCP4cloud introduction (talk) Eugene Krissinel, Maria Fando
14:00 - 14:30 Primary data processing (talk) David Waterman
15:00 - 15:45 XDS & XDSkappa (practical) Jan Stránský
16:00 - 17:00
DIALS demo (practical)
David Waterman
17:00 - 18:00
Data processing hands-on/own data (practical) Jan Stransky, Ronan Keegan, David Waterman
  Course dinner  

May 25 - Structure solution

09:00 - 10:00 Phasing in CCP4 (talk) Ronan Keegan
10:00 - 11:00
Refinement (talk) Rob Nicholls
11:30 - 12:00
Serial Crystallography (talk) Martin Malý
13:00 - 14:30
Phasing demo + Hands on (practical) Ronan Keegan, Eugene Krissinel, Maria Fando
15:00 - 16:30 Refinement demo  + Hands on (practical) Rob Nicholls
16:30 - 17:00
Pairef (practical) Martin Malý

May 26 - Model building and validation

09:00 - 10:00 Ligands and ligand dictionaries (talk) Rob Nicholls
10:00 - 10:45 Model Building in CCP4 and Coot (talk) Ronan Keegan
11:00 - 11:30 WebCoot & Moorhen (talk) Filo Sanchez Rodriguez
11:30 - 12:00 Validation (talk) Jan Dohnálek
13:00 - 13:30
Model Building and Validation overview (practical) Ronan Keegan
13:30 - 14:15
WebCoot & Moorhen demo (practical) Filo Sanchez Rodriguez
14:15 - 15:00
Ligand fitting with CCP4Cloud and Coot demo (practical) Maria Fando, Eugene Krissinel, Ronan Keegan
  Coffee + final discussion  

The programme is subject to change.