Thursday, November 1st at 11:00am EST. Join us for a 30-minute Webinar: "What's new in CCP4 6.3.0", presented by Ronan Keegan, Senior Computational Scientist at STFC Rutherford Appleton Laboratory.
Ronan Keegan, Ph.D.
Senior Computational Scientist, CCP4 Group
Research Complex at Harwell, STFC Rutherford Appleton Laboratory
Oxfordshire, UK
CCP4 software information available here:
Latest CCP4 Newsletter
General CCP4 information and software downloads
The CCP4 user guide wiki
Webinar Details: To watch the event, type questions via the webex interface, and listen using your computer speaker, follow this link to Join the Webinar; Event password: structure
You may also choose to dial in using a toll number:
(US/Canada) 1-650-479-3208 ; Access code: 665 518 180
This option will allow you to participate verbally and listen through your telephone (sound quality may be better).
Abstract: The CCP4 software suite provides a comprehensive set of software tools for use in the protein structure solution process by X-ray crystallography. CCP4 is very much a collaborative project and derives its contents from the contributions of some of the leading developers of software in the field. Our
broad community of expert and novice crystallographers, software developers and associated scientists helps to engender the continuing development of new ideas and techniques leading to improved performance in the existing software as well as the creation of whole new methods. As a result, the CCP4 software suite undergoes regular updates enabling the distribution of the new software tools to its world-wide user base. Today, tools and packages covering all aspects from data collection through to structure deposition are provided.
Here we present details of version 6.3 of the CCP4 suite. This release brings updates to many of the key programs, including improved methods for experimental phasing and molecular replacement in Phaser 2.5, new tools for low resolution refinement in Refmac5.7 and Mosflm 7.0.8 which now has support for Pilatus images. This release also includes several new programs. ViewHKL is a new graphical viewer for reflection data. Aimless, intended as a replacement for Scala, scales together multiple observations of reflections and
is considerably faster as well as better performing than its predecessor. In the area of molecular replacement, version 6.3 includes a beta version of a new program called AMPLE which can make use of ab-initio/de-novo modelling tools such as ROSETTA to generate search models for use in molecular replacement. There are new model building and refinement tools including Nautilus, which performs automated building of RNA/DNA from electron density and ProSMART which generates restraints for use in refinement based on comparative structural analysis. Some new structure and solution analysis tools are also introduced. Gesamt performs structural alignment allowing for arbitrary selection of residues and Zanuda can be used to check refinement
results and validate space group assignment.
Building on the legacy of several decades of crystallographic software development, CCP4 6.3 is an indispensible tool for any researcher working in the protein crystallography field.</small?