Re: [ccp4bb] to determine missing atoms and residues in a PDB file

2012-05-31 Thread Bosch, Juergen
Hi Eleanor, was there recently an update to beverage ? Could you send me a link to version 2.0 perhaps ? And more importantly it hopefully was compiled with EtOH and some vitamins :-) Jürgen On May 31, 2012, at 7:02 AM, Eleanor Dodson wrote: Or do something like beverage, and again you will s

Re: [ccp4bb] to determine missing atoms and residues in a PDB file

2012-05-31 Thread Eleanor Dodson
letin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of > *debayan > dey > *Sent:* Wednesday, May 30, 2012 10:59 AM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] to determine missing atoms and residues in a PDB > file > > ** ** > > The missing residues/atoms in the

Re: [ccp4bb] to determine missing atoms and residues in a PDB file

2012-05-30 Thread Bernhard Rupp (Hofkristallrat a.D.)
will make it happen ;-) Anyhow - beware of fixers. BR From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of debayan dey Sent: Wednesday, May 30, 2012 10:59 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] to determine missing atoms and residues in a PDB file

Re: [ccp4bb] to determine missing atoms and residues in a PDB file

2012-05-30 Thread debayan dey
The missing residues/atoms in the PDB file can be found out and fixed in* * *Schrödinger program's Prime module refinement.It will automatically detect the missing atoms in a residue and will fix it. After fixing it can energy minimize it.For missing portions of residue it can build the missing po

Re: [ccp4bb] to determine missing atoms and residues in a PDB file

2012-05-30 Thread Paul Emsley
On 30/05/12 12:50, sreetama das wrote: Dear All, I have a PDB file which does not have the REMARKS cards 465 (for missing residues) and 470 (for missing atoms). This is not a deposited PDB file. Is there any program to figure out the missing residues and atoms (some programs comp

Re: [ccp4bb] to determine missing atoms and residues in a PDB file

2012-05-30 Thread Edward A. Berry
sreetama das wrote: Dear All, I have a PDB file which does not have the REMARKS cards 465 (for missing residues) and 470 (for missing atoms). This is not a deposited PDB file. Is there any program to figure out the missing residues and atoms (some programs complain about missing atoms) ? Or do

[ccp4bb] to determine missing atoms and residues in a PDB file

2012-05-30 Thread sreetama das
Dear All,   I have a PDB file which does not have the REMARKS cards 465 (for missing residues) and 470 (for missing atoms). This is not a deposited PDB file. Is there any program to figure out the missing residues and atoms (some programs complain about missing atoms) ? Or do I have