[ccp4bb] How to manually dock the rigid molecule into the active site

e with my vision. Is it possible to mask out the density of protein atoms, leaving the residue density of interest for the rest atoms (maybe the rigid molecule)? many thanks in advance. stephen -- Dr. Stephen Sin-Yin Chui (徐先賢) Assistant Professor, Department of Chemistry, The University of Hong

Re: [ccp4bb] Distinguish NH4 from Na?

*** > > Roberto Steiner, PhD > Randall Division of Cell and Molecular Biophysics Group Leader > King's College London > > Room 3.10A > New Hunt's House > Guy's Campus > SE1 1UL, London, UK > Tel 0044-20-78488216 > Fax 0044-2

[ccp4bb] Convert Bruker X8 sfrm to Mosflm format

fferent than data frame Spatial table is 0x0, while data frame is 1024x1024 Please kindly advise, many thanks stephen -- Dr. Stephen Sin-Yin Chui (徐先賢) Assistant Professor, Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong SAR, China. Tel: 22415814 (Office), 22415818 (X-ray Diffraction Laboratory)

[ccp4bb] REMARK REMARK 3 OVERALL ANISOTROPIC B VALUE.

Dear all, can anyone tell me how to obtain the B11, B22, B33 values? After i performed the "anisotropic" refinement of the dataset at 1.6 A using REFMAC5, i can't read these values from the output PDB. thanks stephen -- Dr. Stephen Sin-Yin Chui (徐先賢) Assistant Professor

[ccp4bb] Monomers in COOT

Dear All, For all monomers (3 letter) used in COOT, where can i find the full names of the whole library? Many thanks stephen -- Dr. Stephen Sin-Yin Chui (徐先賢) Assistant Professor, Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong SAR, China. Tel: 22415814

[ccp4bb] Monomer_lib_cif from PDB (Sketcher)

highly appreciated. stephen -- Dr. Stephen Sin-Yin Chui (徐先賢) Assistant Professor, Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong SAR, China. Tel: 22415814 (Office), 22415818 (X-ray Diffraction Laboratory) V3OAc.pdb Description: Protein Databank data

[ccp4bb] A quick question - monomer lib cif

Dear all experts, Just a simple question, how can I obtain a monomer library CIF (_lib.cif) of a new small molecule that could be recognized by Refmac5? If i have a CCDC cif file. many thanks stephen -- Dr. Stephen Sin-Yin Chui (徐先賢) Assistant Professor, Department of Chemistry, The

[ccp4bb] About using COOT

phen Sin-Yin Chui Research Assistant Professor, Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong SAR, China. Tel: 22415814 (Office), 22415818 (X-ray Diffraction Laboratory)

Re: [ccp4bb] Unexplained density

r is there some other > explanation? > > Thanks in advance > > Dan > -- Dr. Stephen Sin-Yin Chui Research Assistant Professor, Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong SAR, China. Tel: 22415814 (Office), 22415818 (X-ray Diffraction Laboratory)

[ccp4bb] HKL-MTZ conversion

Dear All, can anyone of you using Bruker PROTEUM X8? How can I convert HKL to MTZ in CCP4i? I want to do data analysis (TRUNCATE) for the dataset. Many thanks! stephen -- Dr. Stephen Sin-Yin Chui Research Assistant Professor, Department of Chemistry, The University of Hong Kong, Pokfulam Road

[ccp4bb] Purchase of Protein Samples

Dear all CCP4 experts, Hello, I'm not molecular biologist and quite new in this field. I would like to know what companies (i.e. Sigma/Aldrich) are possibe for me to purchase purified protein samples. Any suggestion is welcomed. Many thanks in advance. stephen -- Dr. Stephen Sin-Yin