Re: [ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-13 Thread Clemens Vonrhein
Dear Herman, On Thu, Feb 07, 2019 at 10:26:09AM +, Herman Schreuder wrote: > I did understand your question correctly and (at least for ligands) > the procedure I and also Diana Tomchick described, worked. However, > I just did a test with both Refmac and Buster and it seems that > these progr

[ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-07 Thread Herman . Schreuder
: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [EXTERNAL] [ccp4bb] refmac same residue different names Herman, thanks - however, it seems like I have poorly worded my question. I do know how to generate alternate conformers, what the PDB ATOM record format is etc. The point was that when I have alternate

Re: [ccp4bb] [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-06 Thread Mark Wilson
hich add up to >one). > >Good luck! >Herman > >Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] >Im Auftrag von Edwin Pozharski >Gesendet: Montag, 4. Februar 2019 22:35 >An: >CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK> >Betreff: [EXTERNA

Re: [ccp4bb] [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-06 Thread Diana Tomchick
erent fractions which add up to one). Good luck! Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>] Im Auftrag von Edwin Pozharski Gesendet: Montag, 4. Februar 2019 22:35 An: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Betreff: [EXTERNAL

Re: [ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-06 Thread Mark Wilson
lletin board > [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Edwin > Pozharski >Gesendet: Montag, 4. Februar 2019 22:35 >An: CCP4BB@JISCMAIL.AC.UK >Betreff: [EXTERNAL] [ccp4bb] refmac same residue different names > >Belated happy 2019, everyone. > > >For whatever

Re: [ccp4bb] [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-06 Thread Edwin Pozharski
> > > > Good luck! > > Herman > > > > *Von:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *Im Auftrag von > *Edwin Pozharski > *Gesendet:* Montag, 4. Februar 2019 22:35 > *An:* CCP4BB@JISCMAIL.AC.UK > *Betreff:* [EXTERNAL] [ccp4bb] refmac same residue dif

Re: [ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-06 Thread Palm, Gottfried
@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] refmac same residue different names   Belated happy 2019, everyone.   For whatever obscure reason, I need to refine a model that has two different residue types as alternate conformers with the same residue ID.  Presented with a pdb file that has

Re: [ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-06 Thread Diana Tomchick
ctions which add up to one). Good luck! Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Edwin Pozharski Gesendet: Montag, 4. Februar 2019 22:35 An: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Betreff: [EXTERNAL] [ccp4bb] refmac same residue different na

[ccp4bb] AW: [EXTERNAL] [ccp4bb] refmac same residue different names

2019-02-05 Thread Herman . Schreuder
Pozharski Gesendet: Montag, 4. Februar 2019 22:35 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] refmac same residue different names Belated happy 2019, everyone. For whatever obscure reason, I need to refine a model that has two different residue types as alternate conformers with the same

[ccp4bb] refmac same residue different names

2019-02-04 Thread Edwin Pozharski
Belated happy 2019, everyone. For whatever obscure reason, I need to refine a model that has two different residue types as alternate conformers with the same residue ID. Presented with a pdb file that has such feature, Refmac fails saying this ERROR: in chain A residue: 443 > different