Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Devbrat Kumar
Dear Paul, Thank you Regards Devbrat On Thu, Jun 6, 2024, 8:53 AM Paul Emsley wrote: > > On 06/06/2024 04:00, Devbrat Kumar wrote: > > > -- > Dear Paul, > > Thank you for your response. I wanted to compare a Coulomb potential map > to an electron density map. Before aligning these maps, I need

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Paul Emsley
On 06/06/2024 04:00, Devbrat Kumar wrote: -- Dear Paul, Thank you for your response. I wanted to compare a Coulomb potential map to an electron density map. Before aligning these maps, I need to bring them to similar parameters, which requires rescaling one map to match the other. After t

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Devbrat Kumar
Dear Paul, Thank you for your response. I wanted to compare a Coulomb potential map to an electron density map. Before aligning these maps, I need to bring them to similar parameters, which requires rescaling one map to match the other. After that, I can proceed with density subtraction. I hope t

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Devbrat Kumar
pace (this is trivial to do interactively in ChimeraX) rather than by > MR. > -- > *From:* CCP4 bulletin board on behalf of Eleanor > Dodson <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> > *Sent:* Wednesday, June 5, 2024 1:39:56 PM > *To:* CCP4BB@

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Devbrat Kumar
t; *Subject:* Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map > for Difference Map > > Hmm - rather tricky! I would do an MR search with the crystal model v the > EM density, > Steps would be: > 1) convert EM density to "structure factors". - there are tools wh

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Devbrat Kumar
Hello Eleanor, Thank you for your consistent response to my inquiry. I will follow your suggestions and willl tell you the updates. Regards Devbrat On Wed, Jun 5, 2024, 5:10 PM Eleanor Dodson < 176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > Hmm - rather tricky! I would do an MR search

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Devbrat Kumar
Hello Martin, Thank you for your email and I will look into it. Regards Devbrat On Wed, Jun 5, 2024, 4:16 PM Martin Malý wrote: > Dear Devbrat, > > I am now playing with a similar problem but I don't have a simple solution > for you as I'm also quite stuck. You can check these software tools

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Paul Emsley
On 05/06/2024 07:00, Devbrat Kumar wrote: -- Hello Everyone, Hello Devbrat, I have a query regarding the resampling of cryoEM density to match crystal density to obtain a density difference map. Specifically, I am trying to determine if it is feasible to resample a cryoEM map with an X

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Jon Cooper
equ...@jiscmail.ac.uk> > Sent: Wednesday, June 5, 2024 1:39:56 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for > Difference Map > > Hmm - rather tricky! I would do an MR search with the crystal model v the EM >

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Guillaume Gaullier
uk> Sent: Wednesday, June 5, 2024 1:39:56 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map Hmm - rather tricky! I would do an MR search with the crystal model v the EM density, Steps would be: 1) convert EM density to "s

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Eleanor Dodson
Hmm - rather tricky! I would do an MR search with the crystal model v the EM density, Steps would be: 1) convert EM density to "structure factors". - there are tools which do this .. 1a) You need to go back to ccp4i - program sfall to read map to generate SFs from map - then cad or sftools to add

Re: [ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-05 Thread Martin Malý
Dear Devbrat, I am now playing with a similar problem but I don't have a simple solution for you as I'm also quite stuck. You can check these software tools which involve some scripting in Python (NumPy, SciPy) and C++: EMDA (for cryoEM maps, included in CCP-EM) https://gitlab.com/ccpem/emda

[ccp4bb] Resampling CryoEM Density map to XRD Density map for Difference Map

2024-06-04 Thread Devbrat Kumar
Hello Everyone, Greetings! I have a query regarding the resampling of cryoEM density to match crystal density to obtain a density difference map. Specifically, I am trying to determine if it is feasible to resample a cryoEM map with an XRD density map. However, each time I attempt this, the resam