the fastest way to convert a pdb to density map
Hi, Here I want to calculate a model-to-map FSC curve. If I am not wrong, firstly I am supposed to convert the pdb file to a density map. So I was just wondering in Chimera, how to use command molmap to generated a map with the same pixel size and dimensions as the corresponding map? Any help will be high appreciated. Best, Zhihai Li
Maybe now I find the answer to my own question, the command combinations molmap onGrid and vop resample can solve my problem. Zhihai
On Jan 22, 2016, at 9:00 PM, 李智海 <21620101152414@STU.XMU.EDU.CN> wrote:
Hi,
Here I want to calculate a model-to-map FSC curve. If I am not wrong, firstly I am supposed to convert the pdb file to a density map. So I was just wondering in Chimera, how to use command molmap to generated a map with the same pixel size and dimensions as the corresponding map?
Any help will be high appreciated.
Best,
Zhihai Li
Hi Zhihai, Yes use molmap then vop resample. If your atomic model is #0 and experimental map is #1 with resolution 5 Angstroms use molmap #0 5 vop resample #2 ongrid #1 For computing FSC it should not matter what resolution you use with molmap because that resolution value will just scale the Fourier shells and should not alter the correlation with a shell. But I would test to make sure this is the case. Also if you are at very high resolution (3 - 4 Angstroms) I am not sure the molmap map is good enough an approximation since it simply puts a Gaussian at each atom position with all Gaussians having the same standard deviation. Tom
On Jan 22, 2016, at 5:25 AM, 李智海 < wrote:
Maybe now I find the answer to my own question, the command combinations molmap onGrid and vop resample can solve my problem.
Zhihai
On Jan 22, 2016, at 9:00 PM, 李智海 wrote:
Hi,
Here I want to calculate a model-to-map FSC curve. If I am not wrong, firstly I am supposed to convert the pdb file to a density map. So I was just wondering in Chimera, how to use command molmap to generated a map with the same pixel size and dimensions as the corresponding map?
Any help will be high appreciated.
Best,
Zhihai Li
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participants (2)
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Tom Goddard
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李智海