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

. 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 Kong, Pokfulam Road

Re: [ccp4bb] Distinguish NH4 from Na?

House Guy's Campus SE1 1UL, London, UK Tel 0044-20-78488216 Fax 0044-20-78486435 roberto.stei...@kcl.ac.uk -- 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

[ccp4bb] Convert Bruker X8 sfrm to Mosflm format

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, Department of Chemistry

[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)

is 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

[ccp4bb] About using COOT

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

-- 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 Chui