Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-27 Thread Robert Esnouf
k Tel: (+44) - 1865 - 287783 Original message >Date: Wed, 26 Oct 2016 17:46:15 +0200 >From: CCP4 bulletin board (on behalf of George >Sheldrick ) >Subject: Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS >To: CCP4BB@JISCMAIL.AC.UK > >Dear Kay, > >Exactly. T

Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-26 Thread George Sheldrick
Dear Kay, Exactly. That is why we provided two Linux versions (called pdb2ins and pdb2ins_oldlinux) on the SHELX server. So far two versions seem to be enough and for Macs and Windows only one version seems to be required. If anyone finds this to be insufficient, please let Anna know giving de

Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-26 Thread R.D. Oeffner
In line with Kay's message this sounds like pdb2ins having being linked statically with glibc. AFAIK this can be problematic since glibc in reality can never be completely statically linked. This may cause version conflicts if the same version of glibc is not present on the users system. To avoi

Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-26 Thread Kay Diederichs
Hi Phil, the error message occurs because your glibc is too old for this binary. The glibc cannot easily be updated, it is tied to the distribution, in your case RHEL6. A newer kernel does not change this, nor would an update to RHEL 6.8 This is why distributed Linux software should be built on

Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-26 Thread Tim Gruene
Dear Phil, as far as I understand, SL version 6 builds on kernel 2.6.32, which was released nearly a decade ago. Maybe it's time to update? Even the rather conservative Debian stable uses 3.16 ... Best, Tim On Wednesday, October 26, 2016 12:11:25 PM Phil Evans wrote: > Hi George > > I’m not s

Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-26 Thread Anna Luebben
Dear Phil, Thank you for the information. We made two versions for Linux available; one packaged on an up-to-date Linux computer and one from an 'older' system. Should there be a library problem with the 'linux' version, the 'oldllinux' version could work. best wishes, Anna On 10/26/2016 12

Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-26 Thread Martín Martínez Ripoll
r de Investigaciones Científicas Spanish National Research Council -Mensaje original- De: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] En nombre de Phil Evans Enviado el: miércoles, 26 de octubre de 2016 13:11 Para: CCP4BB@JISCMAIL.AC.UK Asunto: Re: [ccp4bb] New version SHELXL 2016/6 and PDB

Re: [ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-26 Thread Phil Evans
Hi George I’m not sure that anyone here is using shelxl but I’ve just updated our general 64-bit Linux versions anyway. shell starts OK, but with pdb2ins I get a complaint. Do you understand this? (I should probably ask our local guys) Our system is Scientific Linux release 6.7 (Carbon) ./pdb

[ccp4bb] New version SHELXL 2016/6 and PDB2INS

2016-10-25 Thread George Sheldrick
SHELXL may be used to refine both small and macromolecular structures against X-ray or neutron diffraction data, including non-merohedral twins. A new version 2016/6 of SHELXL may now be downloaded from the SHELX server. It has been well tested by about 20 volunteers to whom I am very grateful.