Re: [ccp4bb] Add secondary structure definition into an alphafold PDB

2022-04-07 Thread Robbie Joosten
age- > From: CCP4 bulletin board On Behalf Of > Munoz.Ines > Sent: Thursday, April 7, 2022 10:36 > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Add secondary structure definition into an alphafold PDB > > Harry, you are right! It was the first program that I used but as

Re: [ccp4bb] Add secondary structure definition into an alphafold PDB

2022-04-07 Thread Munoz.Ines
Thanks Paul, I´ll give it a try Best Inés > El 7 abr 2022, a las 10:33, Paul Emsley escribió: > > CAUTION: This email originated from outside of the organization. Do not click > links or open attachments unless you recognize the sender and know the > content is safe > > > > On 07/04/2022

Re: [ccp4bb] Add secondary structure definition into an alphafold PDB

2022-04-07 Thread Munoz.Ines
Harry, you are right! It was the first program that I used but as long as I have seen it gives you the info regarding the amino acids that form those areas but then you have to include this info into your pdb manually. Best Inés > El 7 abr 2022, a las 10:29, Harry Powell - CCP4BB >

Re: [ccp4bb] Add secondary structure definition into an alphafold PDB

2022-04-07 Thread Paul Emsley
On 07/04/2022 09:24, Munoz.Ines wrote: Dear all, Is there any program or server that automatically assign the secondary structure elements into a pdb generated by alpha fold? If you are using Coot, you can use Calculate -> Scripting -> Python add_header_secondary_structure_info(imol)

Re: [ccp4bb] Add secondary structure definition into an alphafold PDB

2022-04-07 Thread Harry Powell - CCP4BB
Also, of course, you could get the up-to-date version from - https://swift.cmbi.umcn.nl/gv/dssp/ Harry > On 7 Apr 2022, at 09:29, Harry Powell - CCP4BB > wrote: > > Hi Ines > > DSSP? (In ccp4 as “mkdssp” in $CBIN)? Should work with any (valid??) PDB file > > “Oldie but goodie”...

Re: [ccp4bb] Add secondary structure definition into an alphafold PDB

2022-04-07 Thread Harry Powell - CCP4BB
Hi Ines DSSP? (In ccp4 as “mkdssp” in $CBIN)? Should work with any (valid??) PDB file “Oldie but goodie”... Harry > On 7 Apr 2022, at 09:24, Munoz.Ines wrote: > > Dear all, > > Is there any program or server that automatically assign the secondary > structure elements into a pdb generated

[ccp4bb] Add secondary structure definition into an alphafold PDB

2022-04-07 Thread Munoz.Ines
Dear all, Is there any program or server that automatically assign the secondary structure elements into a pdb generated by alpha fold? Many thanks Inés Inés G. Muñoz Head of Crystallography and Protein Engineering Unit Spanish National Cancer Research Centre, CNIO