Model preparation in MOLREP and examples of model improvement using X-ray data

By A. Lebedev, A. Vagin, G. Murshudov. 2007

130 citations recorded by the source corpus.

The default model-preparation scheme of MOLREP is described. Two examples are presented of model improvement using X-ray data.

Subfields: Materials Chemistry, Molecular Biology

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. Randy J. Read
2. G. Bunkoczi
3. A. McCoy
4. G. Murshudov
5. Martyn D. Winn
6. Paul D. Adams
7. T. Croll
8. Ronan M. Keegan

In Molecular Biology

1. Randy J. Read
2. G. Bunkoczi
3. A. McCoy
4. Martyn D. Winn
5. G. Murshudov
6. A. Vagin
7. Ronan M. Keegan
8. Paul D. Adams

Citations in the corpus

• Improvement of molecular-replacement models with Sculptor (2011, background): “Atoms that have no counterpart are deleted (Lebedev et al., 2008).”
• Overview of the CCP4 suite and current developments (2011, methodology): “BALBES is based around the MR program MOLREP (Vagin & Teplyakov, 1997, 2010), while MrBUMP can also use the program Phaser (McCoy et al., 2007).”
• BALBES: a molecular-replacement pipeline (2007, methodology): “Although the input is sufficiently simple, the output files contain all the process information, including the results of the analysis of the data by SFCHECK, REFMAC and MOLREP.”
• Molecular replacement with MOLREP. (2010, methodology): “The search model is automatically modified in various ways in order to try these variants for MR (Lebedev et al., 2008).”