On 31/03/2021 04:37, rohit kumar wrote:
I tried to remove H atoms in pdbcur in ccp4 but still there are lots of HD and HH atoms present in the pdb. Could anyone please suggest how to fix this problem.
PDBCUR would want to use the element column in order to identify that the atom is a Hydrogen atom. And that's what's missing. One wonders why. You can do a grep: $ egrep -v ' HD| HH..| HH. ' input.pdb > selected.pdb Paul. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
